#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kf5 n ILE 25 N 0.00 0.00 0.00 -1.33 -6.64 -1.26 -5.10 119.36 105.03 3kf5 n ILE 25 Ca 0.00 -0.02 0.00 0.00 -1.77 0.00 0.00 62.75 60.96 3kf5 n ILE 25 Cb 0.00 1.26 0.00 0.00 -1.44 0.00 0.00 39.64 39.46 3kf5 n ILE 25 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 3kf5 n ASP 26 N -0.02 0.00 0.00 7.28 -0.08 -1.26 -4.91 116.55 117.55 3kf5 n ASP 26 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3kf5 n ASP 26 Cb 0.07 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.53 3kf5 n ASP 26 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3kf5 n LEU 27 N 0.00 0.00 -1.99 -2.67 4.32 -1.26 -3.28 117.00 112.12 3kf5 n LEU 27 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.76 3kf5 n LEU 27 Cb 0.00 0.00 0.13 0.00 -1.62 0.00 0.00 43.42 41.93 3kf5 n LEU 27 CO 0.00 -0.33 1.07 -1.54 -1.22 0.00 0.00 177.39 175.38 3kf5 n SER 28 N -3.18 4.89 -4.68 -1.43 3.41 -1.26 -4.99 113.62 106.38 3kf5 n SER 28 Ca 0.00 -3.73 -0.42 0.00 -0.26 0.00 0.00 58.87 54.46 3kf5 n SER 28 Cb 0.00 -0.78 -0.03 0.00 -0.26 0.00 0.00 64.21 63.14 3kf5 n SER 28 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kf5 s VAL 29 N -3.95 3.39 -0.30 -3.33 1.01 -1.21 -4.99 120.40 111.02 3kf5 s VAL 29 Ca 0.56 0.73 -0.07 0.00 0.00 0.00 0.00 61.98 63.20 3kf5 s VAL 29 Cb 0.46 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 33.39 3kf5 s VAL 29 CO 0.04 -0.02 0.09 -0.62 0.00 0.00 0.00 175.10 174.58 3kf5 s ASP 30 N 2.49 5.17 0.00 3.32 3.68 -1.26 -4.56 116.67 125.51 3kf5 s ASP 30 Ca 0.71 -0.76 0.28 0.00 2.13 0.00 0.00 52.55 54.91 3kf5 s ASP 30 Cb -0.35 -1.89 1.17 0.00 -1.45 0.00 0.00 42.92 40.40 3kf5 s ASP 30 CO 0.30 -0.21 1.81 0.35 0.13 0.00 0.00 175.17 177.55 3kf5 n THR 31 N 4.87 0.00 -0.32 1.71 -2.24 -0.47 -4.45 114.28 113.38 3kf5 n THR 31 Ca -0.14 -0.12 0.18 0.00 -2.27 0.00 0.00 64.05 61.70 3kf5 n THR 31 Cb 0.48 0.11 0.37 0.00 -2.10 0.00 0.00 70.33 69.19 3kf5 n THR 31 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3kf5 h SER 32 N 1.09 0.26 -1.04 3.42 0.02 -1.94 -0.53 113.55 114.83 3kf5 h SER 32 Ca 0.00 0.19 0.27 0.00 -0.84 0.00 0.00 61.79 61.41 3kf5 h SER 32 Cb 0.38 0.20 -0.08 0.00 0.14 0.00 0.00 62.40 63.04 3kf5 h SER 32 CO 0.00 -0.13 0.69 -0.08 -1.14 0.00 0.00 176.83 176.17 3kf5 h GLU 33 N 0.28 0.30 0.00 3.45 4.57 -1.92 -1.70 114.58 119.56 3kf5 h GLU 33 Ca 0.63 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.79 3kf5 h GLU 33 Cb 1.35 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 3kf5 h GLU 33 CO -0.62 0.20 -0.33 2.48 -1.18 0.00 0.00 179.01 179.56 3kf5 n TYR 34 N -4.52 0.00 -0.07 0.92 0.18 -0.61 -4.85 117.16 108.21 3kf5 n TYR 34 Ca 0.24 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.93 3kf5 n TYR 34 Cb 0.92 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.80 3kf5 n TYR 34 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 3kf5 n ASN 35 N -0.99 2.50 -4.65 9.48 3.02 -0.31 -4.57 115.26 119.74 3kf5 n ASN 35 Ca 0.00 -0.06 -0.43 0.00 -0.03 0.00 0.00 54.58 54.06 3kf5 n ASN 35 Cb 0.00 0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 3kf5 n ASN 35 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3kf5 s ARG 36 N -2.32 4.12 0.70 3.52 6.06 -0.65 -3.57 118.95 126.81 3kf5 s ARG 36 Ca -0.17 1.80 -0.16 0.00 -2.50 0.00 0.00 55.73 54.70 3kf5 s ARG 36 Cb 0.05 -3.89 -0.00 0.00 0.06 0.00 0.00 34.95 31.17 3kf5 s ARG 36 CO 0.41 -0.88 1.00 -2.30 -2.50 0.00 0.00 175.30 171.03 3kf5 n PRO 37 N 7.01 0.60 -0.10 5.12 -0.02 -1.26 -4.69 135.00 141.65 3kf5 n PRO 37 Ca 0.16 0.26 -0.13 0.00 -2.02 0.00 0.00 63.50 61.76 3kf5 n PRO 37 Cb 0.44 -2.25 -0.14 0.00 -0.02 0.00 0.00 33.50 31.53 3kf5 n PRO 37 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kf5 n LEU 38 N -1.63 1.30 0.00 2.45 4.77 -1.26 -4.67 117.00 117.96 3kf5 n LEU 38 Ca 0.13 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3kf5 n LEU 38 Cb 0.49 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3kf5 n LEU 38 CO 0.49 0.68 0.20 2.30 -1.33 0.00 0.00 177.39 179.73 3kf5 n ILE 39 N -2.99 0.00 -3.37 -0.08 -5.35 -1.26 -4.86 119.36 101.44 3kf5 n ILE 39 Ca -0.37 -0.47 -0.38 0.00 -0.27 0.00 0.00 62.75 61.26 3kf5 n ILE 39 Cb 1.08 1.05 -0.06 0.00 -1.74 0.00 0.00 39.64 39.97 3kf5 n ILE 39 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 3kf5 s HIS 40 N -0.13 3.70 0.36 4.28 3.76 -1.26 -4.64 115.29 121.36 3kf5 s HIS 40 Ca 0.00 1.07 -0.27 0.00 -0.15 0.00 0.00 55.06 55.70 3kf5 s HIS 40 Cb 0.00 -2.43 -0.09 0.00 1.11 0.00 0.00 32.58 31.16 3kf5 s HIS 40 CO 0.00 0.50 1.22 0.12 -0.85 0.00 0.00 174.74 175.72 3kf5 s PHE 41 N -0.62 3.11 -0.08 1.40 5.36 -1.26 -4.79 117.98 121.10 3kf5 s PHE 41 Ca 0.26 1.52 -0.05 0.00 -0.96 0.00 0.00 56.93 57.69 3kf5 s PHE 41 Cb -0.17 -3.50 0.03 0.00 -0.34 0.00 0.00 43.02 39.03 3kf5 s PHE 41 CO 0.15 -1.47 0.19 0.99 -1.46 0.00 0.00 175.22 173.62 3kf5 s THR 42 N -1.27 -0.02 0.50 0.12 2.01 -1.26 -1.66 115.64 114.05 3kf5 s THR 42 Ca 0.52 0.07 -0.20 0.00 0.31 0.00 0.00 61.69 62.40 3kf5 s THR 42 Cb -0.35 -0.28 -0.08 0.00 0.01 0.00 0.00 72.50 71.80 3kf5 s THR 42 CO 0.45 0.03 1.04 -2.16 -0.69 0.00 0.00 174.62 173.29 3kf5 s PRO 43 N 0.58 3.76 0.11 4.92 0.04 -1.26 -4.96 135.00 138.19 3kf5 s PRO 43 Ca -0.04 1.34 -0.33 0.00 0.04 0.00 0.00 61.00 62.02 3kf5 s PRO 43 Cb -0.05 -2.09 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 3kf5 s PRO 43 CO -0.03 -0.46 1.57 1.49 0.04 0.00 0.00 177.00 179.61 3kf5 h GLU 44 N 1.46 -0.64 -4.78 4.56 4.57 -2.00 -3.45 114.58 114.30 3kf5 h GLU 44 Ca -0.49 0.04 -0.31 0.00 -1.18 0.00 0.00 59.36 57.42 3kf5 h GLU 44 Cb 1.22 0.15 -0.21 0.00 -0.16 0.00 0.00 28.75 29.74 3kf5 h GLU 44 CO 0.59 -0.43 -0.75 -1.59 -1.18 0.00 0.00 179.01 175.66 3kf5 s LYS 45 N -5.83 0.61 0.15 1.92 -2.85 -1.26 -4.51 119.74 107.98 3kf5 s LYS 45 Ca -0.16 -0.83 0.00 0.00 -1.00 0.00 0.00 55.97 53.98 3kf5 s LYS 45 Cb 0.07 -0.44 0.00 0.00 -2.06 0.00 0.00 37.83 35.41 3kf5 s LYS 45 CO 0.62 0.08 0.00 0.41 0.10 0.00 0.00 175.35 176.57 3kf5 n GLY 46 N 1.37 -1.79 3.65 0.59 0.00 0.21 -4.81 105.19 104.41 3kf5 n GLY 46 Ca -0.22 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.49 3kf5 n GLY 46 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kf5 s TRP 47 N 0.00 3.07 0.02 1.61 -0.11 0.41 -1.70 118.94 122.24 3kf5 s TRP 47 Ca 0.00 0.12 0.05 0.00 1.22 0.00 0.00 56.10 57.48 3kf5 s TRP 47 Cb 0.00 -1.74 -0.02 0.00 -1.50 0.00 0.00 33.47 30.21 3kf5 s TRP 47 CO 0.00 0.42 -0.14 1.41 -4.62 0.00 0.00 176.95 174.02 3kf5 s MET 48 N -0.99 1.00 0.00 5.86 1.75 -1.13 -1.52 119.30 124.27 3kf5 s MET 48 Ca 0.14 -0.66 0.00 0.00 -1.25 0.00 0.00 55.69 53.92 3kf5 s MET 48 Cb -0.11 -0.99 0.00 0.00 2.84 0.00 0.00 34.83 36.56 3kf5 s MET 48 CO 0.04 0.26 0.00 0.27 -0.65 0.00 0.00 175.02 174.93 3kf5 n ASN 49 N 2.21 0.00 -4.57 1.11 6.94 -0.63 -4.67 115.26 115.66 3kf5 n ASN 49 Ca -0.17 0.00 -0.51 0.00 -0.02 0.00 0.00 54.58 53.89 3kf5 n ASN 49 Cb 0.55 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.92 3kf5 n ASN 49 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3kf5 n ASP 50 N 0.00 1.17 -4.77 0.53 9.92 -1.26 -4.52 116.55 117.62 3kf5 n ASP 50 Ca 0.00 1.14 -0.38 0.00 -0.53 0.00 0.00 54.79 55.02 3kf5 n ASP 50 Cb 0.00 -1.17 -0.01 0.00 -0.64 0.00 0.00 41.12 39.30 3kf5 n ASP 50 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3kf5 s PRO 51 N -0.15 3.91 0.10 -0.24 0.04 -1.26 -1.36 135.00 136.04 3kf5 s PRO 51 Ca 0.77 1.82 0.04 0.00 0.04 0.00 0.00 61.00 63.67 3kf5 s PRO 51 Cb -0.92 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 3kf5 s PRO 51 CO 0.51 -0.44 -0.10 -0.80 0.04 0.00 0.00 177.00 176.22 3kf5 s ASN 52 N -1.22 1.47 -1.74 6.66 0.01 0.13 -4.79 114.94 115.46 3kf5 s ASN 52 Ca 0.60 -0.82 -0.17 0.00 -0.71 0.00 0.00 52.86 51.76 3kf5 s ASN 52 Cb -0.30 0.01 0.16 0.00 0.41 0.00 0.00 41.25 41.53 3kf5 s ASN 52 CO 0.37 -0.27 0.56 0.61 -1.51 0.00 0.00 177.10 176.87 3kf5 n GLY 53 N 0.52 -0.36 3.65 0.66 0.00 -0.55 -1.76 105.19 107.35 3kf5 n GLY 53 Ca -0.16 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3kf5 n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kf5 s LEU 54 N -7.25 4.21 0.10 0.99 1.43 -1.26 -4.33 118.68 112.56 3kf5 s LEU 54 Ca 0.62 2.07 -0.07 0.00 -1.03 0.00 0.00 54.13 55.72 3kf5 s LEU 54 Cb -0.35 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.33 3kf5 s LEU 54 CO 0.98 -1.00 0.16 0.72 0.23 0.00 0.00 176.35 177.43 3kf5 s PHE 55 N 4.33 0.30 -0.11 0.29 -0.12 -1.21 -1.13 117.98 120.33 3kf5 s PHE 55 Ca 0.72 -0.74 -0.05 0.00 -0.05 0.00 0.00 56.93 56.82 3kf5 s PHE 55 Cb -0.31 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 41.90 3kf5 s PHE 55 CO 0.29 -0.54 0.07 -0.47 -0.05 0.00 0.00 175.22 174.52 3kf5 s TYR 56 N -3.90 3.39 -0.36 3.49 5.04 -0.49 -0.73 117.35 123.79 3kf5 s TYR 56 Ca 0.09 0.36 -0.12 0.00 -2.44 0.00 0.00 57.07 54.95 3kf5 s TYR 56 Cb 0.05 -1.88 0.01 0.00 0.35 0.00 0.00 41.96 40.49 3kf5 s TYR 56 CO -0.08 0.59 0.22 0.34 -1.34 0.00 0.00 175.55 175.28 3kf5 s ASP 57 N -0.90 5.85 0.03 4.32 -1.08 0.80 -4.75 116.67 120.94 3kf5 s ASP 57 Ca 0.14 -0.71 -0.22 0.00 -0.52 0.00 0.00 52.55 51.23 3kf5 s ASP 57 Cb -0.12 -2.08 -0.15 0.00 -1.46 0.00 0.00 42.92 39.11 3kf5 s ASP 57 CO 0.03 -0.32 1.37 0.11 0.52 0.00 0.00 175.17 176.88 3kf5 h LYS 58 N 8.47 0.23 -0.10 4.34 1.57 -1.87 -0.52 116.57 128.69 3kf5 h LYS 58 Ca -0.29 -0.10 -0.16 0.00 -1.87 0.00 0.00 60.65 58.23 3kf5 h LYS 58 Cb 1.13 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 3kf5 h LYS 58 CO 0.66 0.59 -0.62 1.79 -0.57 0.00 0.00 179.45 181.30 3kf5 h THR 59 N -0.14 1.37 -0.01 -0.16 1.35 -1.93 -2.98 112.91 110.42 3kf5 h THR 59 Ca 0.02 -1.97 0.00 0.00 -0.55 0.00 0.00 66.41 63.92 3kf5 h THR 59 Cb 0.53 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3kf5 h THR 59 CO 0.02 0.59 -0.11 0.00 -0.25 0.00 0.00 175.52 175.77 3kf5 n ALA 60 N -2.49 2.78 -3.90 6.62 0.00 -1.23 -4.96 120.51 117.32 3kf5 n ALA 60 Ca -0.03 -0.31 -0.30 0.00 0.00 0.00 0.00 53.44 52.80 3kf5 n ALA 60 Cb 0.64 -1.29 -0.00 0.00 0.00 0.00 0.00 19.45 18.80 3kf5 n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kf5 n LYS 61 N -0.73 -2.20 -3.74 0.00 4.01 -0.29 -4.97 118.16 110.24 3kf5 n LYS 61 Ca 0.16 0.37 -0.14 0.00 -0.51 0.00 0.00 58.31 58.18 3kf5 n LYS 61 Cb 0.29 -4.14 -0.15 0.00 -0.51 0.00 0.00 35.03 30.52 3kf5 n LYS 61 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3kf5 s LEU 62 N -6.89 0.69 0.10 -0.35 2.96 -0.67 -4.69 118.68 109.82 3kf5 s LEU 62 Ca 0.20 0.26 -0.25 0.00 -0.22 0.00 0.00 54.13 54.12 3kf5 s LEU 62 Cb -0.08 0.28 -0.07 0.00 0.50 0.00 0.00 46.19 46.82 3kf5 s LEU 62 CO 0.90 -0.16 0.77 0.26 -1.32 0.00 0.00 176.35 176.80 3kf5 s TRP 63 N 1.28 3.81 -0.11 5.38 0.52 0.12 -0.14 118.94 129.81 3kf5 s TRP 63 Ca -0.08 1.54 0.01 0.00 0.02 0.00 0.00 56.10 57.60 3kf5 s TRP 63 Cb -0.12 -2.79 -0.02 0.00 -1.15 0.00 0.00 33.47 29.39 3kf5 s TRP 63 CO -0.05 0.38 -0.14 -1.01 0.02 0.00 0.00 176.95 176.15 3kf5 s HIS 64 N -0.54 2.77 -0.13 -1.98 3.76 0.09 -1.35 115.29 117.91 3kf5 s HIS 64 Ca 0.37 -0.52 0.01 0.00 -0.15 0.00 0.00 55.06 54.77 3kf5 s HIS 64 Cb -0.22 -1.78 0.02 0.00 1.11 0.00 0.00 32.58 31.71 3kf5 s HIS 64 CO 0.24 -0.11 -0.17 -1.17 -0.85 0.00 0.00 174.74 172.69 3kf5 s LEU 65 N 0.05 1.83 0.41 0.89 2.96 0.42 -3.29 118.68 121.95 3kf5 s LEU 65 Ca -0.05 -0.50 0.07 0.00 -0.22 0.00 0.00 54.13 53.43 3kf5 s LEU 65 Cb -0.15 -1.23 -0.06 0.00 0.50 0.00 0.00 46.19 45.26 3kf5 s LEU 65 CO 0.04 0.00 0.12 -0.31 -1.32 0.00 0.00 176.35 174.89 3kf5 s TYR 66 N 1.14 2.58 -0.15 5.38 1.51 -0.72 0.02 117.35 127.11 3kf5 s TYR 66 Ca -0.02 -0.60 -0.30 0.00 -1.01 0.00 0.00 57.07 55.14 3kf5 s TYR 66 Cb -0.14 -1.89 0.13 0.00 -0.11 0.00 0.00 41.96 39.95 3kf5 s TYR 66 CO -0.06 0.27 1.03 -0.59 -1.11 0.00 0.00 175.55 175.10 3kf5 s PHE 67 N -2.63 -0.32 -0.16 2.71 -0.12 -1.12 0.20 117.98 116.54 3kf5 s PHE 67 Ca 0.39 0.49 -0.33 0.00 -0.05 0.00 0.00 56.93 57.43 3kf5 s PHE 67 Cb 0.05 0.47 -0.10 0.00 -0.63 0.00 0.00 43.02 42.81 3kf5 s PHE 67 CO 0.21 -0.33 2.01 1.04 -0.05 0.00 0.00 175.22 178.10 3kf5 n GLN 68 N 0.53 1.97 -4.04 1.99 1.13 -0.47 -0.18 117.38 118.31 3kf5 n GLN 68 Ca -0.08 0.67 -0.22 0.00 -1.94 0.00 0.00 57.00 55.43 3kf5 n GLN 68 Cb 0.58 -2.74 -0.17 0.00 0.11 0.00 0.00 30.24 28.03 3kf5 n GLN 68 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3kf5 s TYR 69 N 5.52 0.81 -0.27 1.08 5.04 0.89 -1.60 117.35 128.82 3kf5 s TYR 69 Ca 0.97 -0.25 0.02 0.00 -2.44 0.00 0.00 57.07 55.37 3kf5 s TYR 69 Cb -0.65 -0.77 0.06 0.00 0.35 0.00 0.00 41.96 40.96 3kf5 s TYR 69 CO 0.48 -0.26 -0.09 1.21 -1.34 0.00 0.00 175.55 175.54 3kf5 s ASN 70 N 1.28 4.51 0.38 4.32 2.47 -0.58 -0.47 114.94 126.86 3kf5 s ASN 70 Ca -0.05 -1.36 0.21 0.00 0.42 0.00 0.00 52.86 52.08 3kf5 s ASN 70 Cb -0.14 -1.58 0.25 0.00 -1.45 0.00 0.00 41.25 38.33 3kf5 s ASN 70 CO -0.02 -0.20 1.53 -0.65 -3.72 0.00 0.00 177.10 174.04 3kf5 h PRO 71 N 7.81 0.00 0.00 0.43 0.11 -1.87 0.12 132.00 138.60 3kf5 h PRO 71 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3kf5 h PRO 71 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3kf5 h PRO 71 CO 0.48 0.13 -0.48 0.09 -0.21 0.00 0.00 178.00 178.00 3kf5 n ASN 72 N -3.10 0.62 -4.11 -2.05 3.02 -1.26 -4.39 115.26 103.98 3kf5 n ASN 72 Ca 0.03 0.13 -0.11 0.00 -0.03 0.00 0.00 54.58 54.60 3kf5 n ASN 72 Cb 0.59 0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.69 3kf5 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kf5 s ALA 73 N -3.11 0.55 -0.51 5.41 0.00 -1.26 -5.04 121.76 117.80 3kf5 s ALA 73 Ca 0.08 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 50.73 3kf5 s ALA 73 Cb 0.14 1.25 0.59 0.00 0.00 0.00 0.00 23.12 25.11 3kf5 s ALA 73 CO 0.69 -0.71 1.93 -2.37 0.00 0.00 0.00 175.76 175.30 3kf5 n THR 74 N -0.32 3.30 -3.98 0.00 5.66 -1.26 -2.48 114.28 115.20 3kf5 n THR 74 Ca 0.00 -2.29 -0.11 0.00 -3.05 0.00 0.00 64.05 58.61 3kf5 n THR 74 Cb 0.64 -0.68 -0.03 0.00 -1.55 0.00 0.00 70.33 68.71 3kf5 n THR 74 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kf5 s ALA 75 N -3.46 -0.07 0.18 1.79 0.00 -1.26 -4.75 121.76 114.19 3kf5 s ALA 75 Ca 0.59 -1.03 -0.31 0.00 0.00 0.00 0.00 51.96 51.20 3kf5 s ALA 75 Cb 0.49 0.99 -0.10 0.00 0.00 0.00 0.00 23.12 24.50 3kf5 s ALA 75 CO 0.07 -0.88 1.59 -0.46 0.00 0.00 0.00 175.76 176.08 3kf5 s TRP 76 N -3.29 3.02 -0.03 0.00 -0.00 -1.26 -4.67 118.94 112.71 3kf5 s TRP 76 Ca 0.23 0.61 0.05 0.00 -0.00 0.00 0.00 56.10 56.98 3kf5 s TRP 76 Cb -0.02 -3.96 -0.01 0.00 -0.00 0.00 0.00 33.47 29.48 3kf5 s TRP 76 CO 0.13 -3.54 -0.17 0.20 -0.00 0.00 0.00 176.95 173.58 3kf5 s GLY 77 N 1.07 0.87 0.12 5.86 0.00 -1.26 -5.07 107.32 108.91 3kf5 s GLY 77 Ca 0.70 -0.69 -0.30 0.00 0.00 0.00 0.00 44.72 44.44 3kf5 s GLY 77 CO 0.33 -0.43 1.59 1.46 0.00 0.00 0.00 173.10 176.05 3kf5 h GLN 78 N 6.07 -0.55 -6.39 2.90 4.20 -1.93 -3.29 115.11 116.13 3kf5 h GLN 78 Ca -0.34 0.04 -0.57 0.00 0.06 0.00 0.00 58.65 57.84 3kf5 h GLN 78 Cb 1.17 0.12 -0.09 0.00 0.30 0.00 0.00 27.48 28.98 3kf5 h GLN 78 CO 0.48 -0.36 0.87 -1.25 -0.67 0.00 0.00 178.83 177.90 3kf5 s PRO 79 N -5.93 3.46 -0.09 1.46 0.05 -1.24 -3.83 135.00 128.89 3kf5 s PRO 79 Ca -0.16 0.11 0.03 0.00 0.05 0.00 0.00 61.00 61.03 3kf5 s PRO 79 Cb 0.08 -4.03 -0.01 0.00 0.05 0.00 0.00 34.50 30.60 3kf5 s PRO 79 CO 0.64 -1.64 -0.20 -1.17 0.05 0.00 0.00 177.00 174.68 3kf5 s LEU 80 N 4.70 2.34 0.38 -3.56 2.96 -1.24 -4.80 118.68 119.46 3kf5 s LEU 80 Ca 0.40 -0.43 0.08 0.00 -0.22 0.00 0.00 54.13 53.95 3kf5 s LEU 80 Cb -0.09 -1.47 -0.07 0.00 0.50 0.00 0.00 46.19 45.06 3kf5 s LEU 80 CO 0.24 0.21 -0.02 -0.31 -1.32 0.00 0.00 176.35 175.15 3kf5 s TYR 81 N 0.04 2.43 -0.42 5.38 1.51 0.38 -0.55 117.35 126.12 3kf5 s TYR 81 Ca -0.08 -0.64 -0.20 0.00 -1.01 0.00 0.00 57.07 55.15 3kf5 s TYR 81 Cb -0.15 -1.61 0.02 0.00 -0.11 0.00 0.00 41.96 40.11 3kf5 s TYR 81 CO 0.05 0.46 0.59 -1.58 -1.11 0.00 0.00 175.55 173.96 3kf5 s TRP 82 N -2.72 3.10 0.97 2.71 0.52 -0.78 -0.08 118.94 122.66 3kf5 s TRP 82 Ca 0.34 -0.07 -0.13 0.00 0.02 0.00 0.00 56.10 56.27 3kf5 s TRP 82 Cb 0.07 -3.21 0.17 0.00 -1.15 0.00 0.00 33.47 29.36 3kf5 s TRP 82 CO 0.17 -0.79 1.12 0.20 0.02 0.00 0.00 176.95 177.67 3kf5 s GLY 83 N 1.93 1.57 -0.17 0.98 0.00 0.74 -0.79 107.32 111.58 3kf5 s GLY 83 Ca 0.20 -0.49 -0.08 0.00 0.00 0.00 0.00 44.72 44.35 3kf5 s GLY 83 CO 0.17 0.11 0.41 -1.58 0.00 0.00 0.00 173.10 172.21 3kf5 s HIS 84 N -3.14 -0.64 0.08 1.90 2.46 -1.26 -2.80 115.29 111.89 3kf5 s HIS 84 Ca 0.65 1.33 0.03 0.00 0.47 0.00 0.00 55.06 57.54 3kf5 s HIS 84 Cb -0.16 0.26 -0.03 0.00 -0.13 0.00 0.00 32.58 32.52 3kf5 s HIS 84 CO 0.55 -0.38 -0.09 0.00 -2.47 0.00 0.00 174.74 172.35 3kf5 s ALA 85 N 1.75 0.97 0.17 1.58 0.00 0.10 -0.26 121.76 126.07 3kf5 s ALA 85 Ca -0.07 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 50.85 3kf5 s ALA 85 Cb -0.09 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 3kf5 s ALA 85 CO -0.13 -0.06 -0.15 0.95 0.00 0.00 0.00 175.76 176.38 3kf5 s THR 86 N -2.33 1.63 0.02 0.00 -4.23 -0.72 -0.44 115.64 109.57 3kf5 s THR 86 Ca 0.03 -2.03 -0.16 0.00 -1.18 0.00 0.00 61.69 58.34 3kf5 s THR 86 Cb -0.04 -1.88 0.03 0.00 1.34 0.00 0.00 72.50 71.96 3kf5 s THR 86 CO -0.01 -0.51 0.36 -0.55 -0.54 0.00 0.00 174.62 173.38 3kf5 s SER 87 N -2.98 -0.23 0.00 3.99 0.15 -0.45 -1.13 113.70 113.05 3kf5 s SER 87 Ca 0.18 -0.00 0.15 0.00 0.70 0.00 0.00 55.95 56.98 3kf5 s SER 87 Cb -0.02 0.38 -0.06 0.00 -1.71 0.00 0.00 66.02 64.60 3kf5 s SER 87 CO 0.05 -0.59 0.75 -0.46 1.20 0.00 0.00 173.24 174.20 3kf5 n ASN 88 N 0.76 1.24 0.00 5.45 6.94 -1.26 0.15 115.26 128.54 3kf5 n ASN 88 Ca -0.19 -1.12 0.00 0.00 -0.02 0.00 0.00 54.58 53.25 3kf5 n ASN 88 Cb 0.58 0.67 0.00 0.00 -2.36 0.00 0.00 39.78 38.68 3kf5 n ASN 88 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3kf5 n ASP 89 N -0.60 0.02 -0.08 0.53 5.75 -1.26 -4.90 116.55 116.01 3kf5 n ASP 89 Ca 0.05 -0.58 -0.01 0.00 -0.01 0.00 0.00 54.79 54.24 3kf5 n ASP 89 Cb 0.29 0.01 -0.00 0.00 -1.03 0.00 0.00 41.12 40.39 3kf5 n ASP 89 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3kf5 n LEU 90 N -0.01 0.10 0.00 -2.12 4.77 -1.26 -4.52 117.00 113.95 3kf5 n LEU 90 Ca 0.00 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3kf5 n LEU 90 Cb 0.14 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 3kf5 n LEU 90 CO 0.00 -0.23 -0.06 1.33 -1.33 0.00 0.00 177.39 177.10 3kf5 n VAL 91 N -2.79 0.00 -4.09 4.08 0.24 -1.26 -4.68 118.33 109.82 3kf5 n VAL 91 Ca -0.01 -0.19 -0.33 0.00 -2.04 0.00 0.00 64.34 61.77 3kf5 n VAL 91 Cb 0.12 0.82 -0.16 0.00 -1.47 0.00 0.00 33.84 33.16 3kf5 n VAL 91 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3kf5 s HIS 92 N -0.60 2.81 -0.03 6.34 3.76 -1.26 -4.58 115.29 121.73 3kf5 s HIS 92 Ca 0.00 -1.54 0.07 0.00 -0.15 0.00 0.00 55.06 53.44 3kf5 s HIS 92 Cb 0.00 -1.95 -0.02 0.00 1.11 0.00 0.00 32.58 31.73 3kf5 s HIS 92 CO 0.00 -0.77 -0.25 -1.58 -0.85 0.00 0.00 174.74 171.29 3kf5 s TRP 93 N 1.32 2.32 -0.19 1.40 0.52 -1.26 -4.30 118.94 118.75 3kf5 s TRP 93 Ca 0.05 -0.50 -0.06 0.00 0.02 0.00 0.00 56.10 55.61 3kf5 s TRP 93 Cb -0.13 -1.50 -0.03 0.00 -1.15 0.00 0.00 33.47 30.65 3kf5 s TRP 93 CO -0.12 -0.08 0.02 -0.51 0.02 0.00 0.00 176.95 176.29 3kf5 s ASP 94 N -0.50 5.17 -0.18 2.95 1.01 -0.29 -4.94 116.67 119.90 3kf5 s ASP 94 Ca 0.07 -0.07 -0.20 0.00 0.71 0.00 0.00 52.55 53.05 3kf5 s ASP 94 Cb -0.11 -1.88 -0.03 0.00 1.01 0.00 0.00 42.92 41.91 3kf5 s ASP 94 CO 0.00 0.12 0.59 -0.70 0.21 0.00 0.00 175.17 175.39 3kf5 s GLU 95 N 0.67 4.24 0.29 8.23 2.12 -1.26 -1.75 118.70 131.24 3kf5 s GLU 95 Ca 0.01 0.57 0.03 0.00 0.36 0.00 0.00 54.97 55.93 3kf5 s GLU 95 Cb -0.14 -3.54 0.03 0.00 0.26 0.00 0.00 34.13 30.74 3kf5 s GLU 95 CO 0.02 -0.14 0.23 0.72 -0.54 0.00 0.00 175.26 175.55 3kf5 n HIS 96 N 4.69 -1.15 -2.02 5.30 8.25 0.64 -5.00 115.22 125.93 3kf5 n HIS 96 Ca -0.03 -1.22 -0.32 0.00 -0.26 0.00 0.00 57.72 55.88 3kf5 n HIS 96 Cb 0.50 -0.24 0.01 0.00 1.12 0.00 0.00 29.99 31.38 3kf5 n HIS 96 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3kf5 s GLU 97 N -3.21 3.33 0.08 -0.41 8.01 -1.26 -4.51 118.70 120.73 3kf5 s GLU 97 Ca 0.18 1.16 -0.31 0.00 0.01 0.00 0.00 54.97 56.00 3kf5 s GLU 97 Cb -0.01 -2.04 -0.17 0.00 -4.31 0.00 0.00 34.13 27.60 3kf5 s GLU 97 CO 0.11 -0.80 0.73 -0.89 0.01 0.00 0.00 175.26 174.43 3kf5 n ILE 98 N -2.11 0.85 -0.05 -1.63 2.08 -1.26 -4.49 119.36 112.75 3kf5 n ILE 98 Ca 0.08 -0.21 -0.21 0.00 0.56 0.00 0.00 62.75 62.97 3kf5 n ILE 98 Cb 0.53 0.00 -0.13 0.00 -0.75 0.00 0.00 39.64 39.29 3kf5 n ILE 98 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kf5 h ALA 99 N 1.87 0.26 -3.79 -1.39 0.00 -1.20 -3.47 119.26 111.54 3kf5 h ALA 99 Ca -0.36 -1.18 -0.30 0.00 0.00 0.00 0.00 54.91 53.06 3kf5 h ALA 99 Cb 1.30 0.62 -0.29 0.00 0.00 0.00 0.00 17.79 19.42 3kf5 h ALA 99 CO 0.55 0.84 -0.74 0.42 0.00 0.00 0.00 179.25 180.32 3kf5 s ILE 100 N -2.43 0.26 0.25 0.00 1.01 -1.24 -3.93 121.20 115.12 3kf5 s ILE 100 Ca -0.24 -0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.37 3kf5 s ILE 100 Cb 0.05 -0.24 -0.05 0.00 0.01 0.00 0.00 42.46 42.23 3kf5 s ILE 100 CO 0.68 0.09 -0.13 -0.83 0.00 0.00 0.00 174.94 174.75 3kf5 s GLY 101 N 0.07 1.67 0.51 6.18 0.00 -1.26 -1.86 107.32 112.64 3kf5 s GLY 101 Ca -0.00 -1.80 -0.07 0.00 0.00 0.00 0.00 44.72 42.85 3kf5 s GLY 101 CO -0.00 -1.84 0.84 2.56 0.00 0.00 0.00 173.10 174.66 3kf5 s PRO 102 N -3.64 3.57 0.37 2.90 0.04 -1.26 -4.89 135.00 132.10 3kf5 s PRO 102 Ca 0.26 0.35 0.09 0.00 0.04 0.00 0.00 61.00 61.74 3kf5 s PRO 102 Cb -0.00 -2.31 0.73 0.00 0.04 0.00 0.00 34.50 32.96 3kf5 s PRO 102 CO 0.10 -0.28 1.88 0.93 0.04 0.00 0.00 177.00 179.68 3kf5 h GLU 103 N 0.18 0.24 -4.46 4.56 5.08 -1.97 -3.45 114.58 114.77 3kf5 h GLU 103 Ca -0.46 -0.06 -0.24 0.00 -1.00 0.00 0.00 59.36 57.59 3kf5 h GLU 103 Cb 1.20 -0.03 -0.20 0.00 0.50 0.00 0.00 28.75 30.22 3kf5 h GLU 103 CO 0.62 0.42 -0.72 -1.01 -1.00 0.00 0.00 179.01 177.31 3kf5 s HIS 104 N -4.64 0.62 -0.62 4.33 3.76 -1.26 -4.99 115.29 112.49 3kf5 s HIS 104 Ca -0.05 -0.59 0.05 0.00 -0.15 0.00 0.00 55.06 54.32 3kf5 s HIS 104 Cb 0.15 -0.38 0.29 0.00 1.11 0.00 0.00 32.58 33.76 3kf5 s HIS 104 CO 0.74 -0.13 1.10 -0.25 -0.85 0.00 0.00 174.74 175.35 3kf5 n ASP 105 N 1.21 0.14 0.04 1.40 9.92 -1.26 -2.67 116.55 125.33 3kf5 n ASP 105 Ca -0.21 0.50 0.02 0.00 -0.53 0.00 0.00 54.79 54.56 3kf5 n ASP 105 Cb 0.56 -0.50 0.37 0.00 -0.64 0.00 0.00 41.12 40.90 3kf5 n ASP 105 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 3kf5 h ASN 106 N 0.00 0.40 0.00 -2.24 -0.00 -1.94 -3.28 115.58 108.52 3kf5 h ASN 106 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 56.30 56.24 3kf5 h ASN 106 Cb 0.19 -0.10 0.00 0.00 -0.00 0.00 0.00 38.32 38.40 3kf5 h ASN 106 CO 0.00 0.44 0.00 1.21 -0.00 0.00 0.00 177.43 179.08 3kf5 n GLU 107 N -4.34 0.00 -4.10 6.67 0.00 -1.09 -4.74 120.64 113.04 3kf5 n GLU 107 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 57.16 57.00 3kf5 n GLU 107 Cb 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.58 3kf5 n GLU 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3kf5 n GLY 108 N 0.00 2.60 3.39 8.31 0.00 -1.13 -4.06 105.19 114.29 3kf5 n GLY 108 Ca 0.00 -1.78 -0.44 0.00 0.00 0.00 0.00 46.02 43.80 3kf5 n GLY 108 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kf5 s ILE 109 N -3.12 4.75 0.44 -0.61 -1.09 0.28 -1.34 121.20 120.51 3kf5 s ILE 109 Ca 0.35 -0.93 -0.07 0.00 -2.23 0.00 0.00 60.65 57.76 3kf5 s ILE 109 Cb 0.01 -4.53 0.10 0.00 -1.58 0.00 0.00 42.46 36.46 3kf5 s ILE 109 CO 0.25 -1.19 0.53 0.49 -1.23 0.00 0.00 174.94 173.79 3kf5 n PHE 110 N 6.52 -3.84 -1.36 3.97 3.01 0.48 -4.54 117.46 121.70 3kf5 n PHE 110 Ca -0.07 -0.47 -0.35 0.00 1.01 0.00 0.00 57.45 57.56 3kf5 n PHE 110 Cb 0.43 -0.44 0.09 0.00 -0.01 0.00 0.00 39.48 39.55 3kf5 n PHE 110 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3kf5 n SER 111 N -3.47 0.81 -1.97 4.37 7.64 -1.26 -4.00 113.62 115.73 3kf5 n SER 111 Ca 0.07 0.67 0.00 0.00 1.01 0.00 0.00 58.87 60.62 3kf5 n SER 111 Cb 0.24 -1.45 0.01 0.00 -1.01 0.00 0.00 64.21 62.00 3kf5 n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kf5 n GLY 112 N 0.96 0.75 3.37 0.23 0.00 -1.26 -1.96 105.19 107.27 3kf5 n GLY 112 Ca 0.13 -0.96 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 3kf5 n GLY 112 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kf5 s SER 113 N -2.00 1.75 0.05 1.61 1.04 0.85 -1.47 113.70 115.54 3kf5 s SER 113 Ca 0.10 -1.54 0.08 0.00 0.48 0.00 0.00 55.95 55.07 3kf5 s SER 113 Cb -0.01 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 3kf5 s SER 113 CO 0.01 -0.85 -0.21 -0.63 0.98 0.00 0.00 173.24 172.54 3kf5 s ILE 114 N -3.54 1.70 0.20 -1.02 1.01 -1.26 -0.43 121.20 117.86 3kf5 s ILE 114 Ca 0.34 -1.26 0.06 0.00 0.00 0.00 0.00 60.65 59.79 3kf5 s ILE 114 Cb 0.05 -1.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.99 3kf5 s ILE 114 CO 0.16 0.17 -0.10 0.68 0.00 0.00 0.00 174.94 175.86 3kf5 s VAL 115 N -0.85 1.45 -0.29 2.92 -7.23 -0.57 -4.76 120.40 111.06 3kf5 s VAL 115 Ca 0.08 -2.13 -0.07 0.00 -1.81 0.00 0.00 61.98 58.04 3kf5 s VAL 115 Cb -0.09 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.76 3kf5 s VAL 115 CO 0.02 -0.56 0.09 -0.69 -0.31 0.00 0.00 175.10 173.66 3kf5 s VAL 116 N -3.15 4.13 -1.33 1.32 1.01 -1.26 -1.74 120.40 119.38 3kf5 s VAL 116 Ca 0.23 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 3kf5 s VAL 116 Cb 0.02 -3.10 0.13 0.00 0.00 0.00 0.00 36.38 33.42 3kf5 s VAL 116 CO 0.06 0.11 2.13 -0.67 0.00 0.00 0.00 175.10 176.73 3kf5 n ASP 117 N 4.90 6.16 -0.31 3.32 2.03 -0.09 -4.83 116.55 127.73 3kf5 n ASP 117 Ca -0.15 -3.07 0.18 0.00 0.52 0.00 0.00 54.79 52.27 3kf5 n ASP 117 Cb 0.49 -1.46 0.37 0.00 -0.72 0.00 0.00 41.12 39.79 3kf5 n ASP 117 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 3kf5 h HIS 118 N 5.35 0.54 -0.98 -0.67 3.86 -1.96 -1.34 115.15 119.95 3kf5 h HIS 118 Ca 0.54 0.05 -0.51 0.00 -1.16 0.00 0.00 60.37 59.29 3kf5 h HIS 118 Cb 0.50 -0.08 -0.30 0.00 1.06 0.00 0.00 27.41 28.59 3kf5 h HIS 118 CO 1.42 -0.23 0.63 0.09 0.86 0.00 0.00 177.93 180.70 3kf5 n ASN 119 N -5.19 3.76 -4.20 2.45 3.02 -1.26 -4.74 115.26 109.10 3kf5 n ASN 119 Ca 0.26 -3.60 -0.32 0.00 -0.03 0.00 0.00 54.58 50.89 3kf5 n ASN 119 Cb 0.82 -0.83 -0.08 0.00 -0.61 0.00 0.00 39.78 39.07 3kf5 n ASN 119 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3kf5 n ASN 120 N -1.12 -0.01 0.12 6.41 5.15 -0.51 -4.82 115.26 120.49 3kf5 n ASN 120 Ca 0.59 -1.15 0.12 0.00 -0.60 0.00 0.00 54.58 53.53 3kf5 n ASN 120 Cb 1.66 -1.45 0.48 0.00 -0.53 0.00 0.00 39.78 39.94 3kf5 n ASN 120 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3kf5 n THR 121 N -4.08 0.80 0.02 -0.44 -2.24 -1.26 -2.55 114.28 104.53 3kf5 n THR 121 Ca -0.16 0.17 0.10 0.00 -2.27 0.00 0.00 64.05 61.89 3kf5 n THR 121 Cb 0.56 -1.08 -0.12 0.00 -2.10 0.00 0.00 70.33 67.59 3kf5 n THR 121 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3kf5 n SER 122 N -2.21 0.26 -0.90 3.42 3.41 -1.25 -4.58 113.62 111.77 3kf5 n SER 122 Ca 0.03 0.10 -0.02 0.00 -0.26 0.00 0.00 58.87 58.72 3kf5 n SER 122 Cb 0.25 1.48 0.01 0.00 -0.26 0.00 0.00 64.21 65.69 3kf5 n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kf5 n GLY 123 N 1.26 0.70 3.01 5.00 0.00 -1.06 -5.05 105.19 109.06 3kf5 n GLY 123 Ca -0.04 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 3kf5 n GLY 123 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kf5 s PHE 124 N -3.03 2.94 -0.31 1.61 0.08 -1.26 -5.06 117.98 112.95 3kf5 s PHE 124 Ca 0.04 -2.13 -0.11 0.00 0.12 0.00 0.00 56.93 54.85 3kf5 s PHE 124 Cb -0.02 -1.83 0.19 0.00 -0.57 0.00 0.00 43.02 40.78 3kf5 s PHE 124 CO 0.07 -0.84 1.05 0.12 -0.10 0.00 0.00 175.22 175.51 3kf5 s PHE 125 N 1.21 -0.44 0.14 0.36 5.36 -1.26 -4.97 117.98 118.38 3kf5 s PHE 125 Ca -0.07 0.20 -0.19 0.00 -0.96 0.00 0.00 56.93 55.92 3kf5 s PHE 125 Cb -0.19 0.08 0.02 0.00 -0.34 0.00 0.00 43.02 42.58 3kf5 s PHE 125 CO -0.06 -0.27 1.69 -0.97 -1.46 0.00 0.00 175.22 174.15 3kf5 h ASN 126 N 6.69 -0.27 0.00 6.13 -0.73 -1.97 -3.46 115.58 121.97 3kf5 h ASN 126 Ca -0.07 0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.18 3kf5 h ASN 126 Cb 1.19 0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.96 3kf5 h ASN 126 CO -0.09 -0.09 0.00 -1.54 -0.37 0.00 0.00 177.43 175.34 3kf5 n SER 127 N -5.24 0.00 -2.10 1.15 3.41 -1.26 -4.95 113.62 104.63 3kf5 n SER 127 Ca -0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 3kf5 n SER 127 Cb 0.16 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.14 3kf5 n SER 127 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kf5 n SER 128 N 0.00 4.62 -4.51 4.04 3.41 -1.26 -4.92 113.62 115.00 3kf5 n SER 128 Ca 0.00 -3.59 -0.43 0.00 -0.26 0.00 0.00 58.87 54.59 3kf5 n SER 128 Cb 0.00 -0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 63.56 3kf5 n SER 128 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3kf5 s ILE 129 N -4.53 4.34 0.07 -1.33 -1.09 -1.26 -5.01 121.20 112.40 3kf5 s ILE 129 Ca 0.49 0.14 -0.37 0.00 -2.23 0.00 0.00 60.65 58.67 3kf5 s ILE 129 Cb 0.40 -4.59 -0.17 0.00 -1.58 0.00 0.00 42.46 36.52 3kf5 s ILE 129 CO 0.03 -1.23 1.31 -0.67 -1.23 0.00 0.00 174.94 173.15 3kf5 n ASP 130 N 7.62 1.47 -4.69 3.58 2.03 -1.26 -4.72 116.55 120.57 3kf5 n ASP 130 Ca 0.00 1.12 -0.36 0.00 0.52 0.00 0.00 54.79 56.07 3kf5 n ASP 130 Cb 0.47 -1.16 0.08 0.00 -0.72 0.00 0.00 41.12 39.79 3kf5 n ASP 130 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3kf5 n PRO 131 N 2.43 0.87 -1.30 -0.67 -0.02 -1.26 -1.36 135.00 133.69 3kf5 n PRO 131 Ca 0.19 0.35 -0.11 0.00 -2.02 0.00 0.00 63.50 61.91 3kf5 n PRO 131 Cb 0.18 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.18 3kf5 n PRO 131 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3kf5 n ASN 132 N -1.94 -5.49 0.00 2.55 2.04 -1.26 -4.63 115.26 106.53 3kf5 n ASN 132 Ca 0.15 0.27 0.00 0.00 -0.44 0.00 0.00 54.58 54.56 3kf5 n ASN 132 Cb 0.48 -4.10 0.00 0.00 -2.53 0.00 0.00 39.78 33.64 3kf5 n ASN 132 CO 0.00 0.00 0.00 1.67 -0.44 0.00 0.00 177.26 178.49 3kf5 n GLN 133 N -0.85 -0.00 -2.58 -3.83 7.27 -0.46 -4.17 117.38 112.76 3kf5 n GLN 133 Ca -0.11 -0.22 -0.42 0.00 0.07 0.00 0.00 57.00 56.32 3kf5 n GLN 133 Cb 0.58 -0.58 -0.02 0.00 2.41 0.00 0.00 30.24 32.63 3kf5 n GLN 133 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 3kf5 s ARG 134 N -0.04 3.71 -0.23 3.69 6.06 -0.64 -4.68 118.95 126.82 3kf5 s ARG 134 Ca 0.00 -1.40 -0.08 0.00 -2.50 0.00 0.00 55.73 51.75 3kf5 s ARG 134 Cb 0.00 -5.39 -0.04 0.00 0.06 0.00 0.00 34.95 29.58 3kf5 s ARG 134 CO 0.00 -2.21 0.10 0.42 -2.50 0.00 0.00 175.30 171.11 3kf5 s ILE 135 N 4.66 4.83 -0.09 4.11 1.01 -1.25 -0.91 121.20 133.55 3kf5 s ILE 135 Ca 0.48 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 61.15 3kf5 s ILE 135 Cb 0.01 -3.23 0.01 0.00 0.01 0.00 0.00 42.46 39.26 3kf5 s ILE 135 CO -0.05 0.37 -0.18 -0.69 0.00 0.00 0.00 174.94 174.39 3kf5 s VAL 136 N 1.05 1.64 -0.18 2.92 1.01 -0.71 -1.18 120.40 124.94 3kf5 s VAL 136 Ca 0.05 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 3kf5 s VAL 136 Cb -0.14 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 3kf5 s VAL 136 CO 0.04 0.47 0.11 0.00 0.00 0.00 0.00 175.10 175.71 3kf5 s ALA 137 N 0.59 3.63 -0.18 5.51 0.00 0.26 -1.52 121.76 130.06 3kf5 s ALA 137 Ca -0.15 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 3kf5 s ALA 137 Cb -0.17 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 20.89 3kf5 s ALA 137 CO 0.05 0.24 -0.13 0.42 0.00 0.00 0.00 175.76 176.33 3kf5 s ILE 138 N 0.15 2.74 0.13 0.00 1.09 0.43 -0.56 121.20 125.18 3kf5 s ILE 138 Ca 0.08 -0.73 -0.07 0.00 -1.10 0.00 0.00 60.65 58.83 3kf5 s ILE 138 Cb -0.11 -2.18 -0.01 0.00 -1.06 0.00 0.00 42.46 39.09 3kf5 s ILE 138 CO -0.01 0.50 0.21 -0.72 -0.10 0.00 0.00 174.94 174.82 3kf5 s TYR 139 N 1.10 0.39 -0.11 3.97 -0.85 -0.34 -0.10 117.35 121.41 3kf5 s TYR 139 Ca 0.00 -0.79 -0.21 0.00 -0.52 0.00 0.00 57.07 55.56 3kf5 s TYR 139 Cb -0.14 -0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.03 3kf5 s TYR 139 CO -0.04 -0.62 0.60 0.99 -1.52 0.00 0.00 175.55 174.96 3kf5 s THR 140 N -3.94 5.10 -0.40 -3.49 2.01 -0.83 -0.43 115.64 113.65 3kf5 s THR 140 Ca 0.14 1.20 -0.14 0.00 0.31 0.00 0.00 61.69 63.19 3kf5 s THR 140 Cb 0.05 -3.93 0.02 0.00 0.01 0.00 0.00 72.50 68.64 3kf5 s THR 140 CO -0.04 0.25 0.29 0.21 -0.69 0.00 0.00 174.62 174.64 3kf5 s ASN 141 N 0.81 6.08 -0.42 3.53 2.47 -0.18 -0.39 114.94 126.85 3kf5 s ASN 141 Ca 0.31 -0.84 -0.20 0.00 0.42 0.00 0.00 52.86 52.55 3kf5 s ASN 141 Cb -0.16 -2.15 0.02 0.00 -1.45 0.00 0.00 41.25 37.51 3kf5 s ASN 141 CO 0.13 -0.42 0.60 0.21 -3.72 0.00 0.00 177.10 173.90 3kf5 s ASN 142 N 1.68 6.31 0.21 -4.21 2.47 -0.45 -2.82 114.94 118.12 3kf5 s ASN 142 Ca 0.05 -0.35 0.08 0.00 0.42 0.00 0.00 52.86 53.06 3kf5 s ASN 142 Cb -0.19 -2.30 -0.04 0.00 -1.45 0.00 0.00 41.25 37.27 3kf5 s ASN 142 CO 0.10 -0.71 0.01 -0.63 -3.72 0.00 0.00 177.10 172.15 3kf5 s ILE 143 N 2.66 3.65 -0.03 -5.21 1.01 0.11 -2.85 121.20 120.54 3kf5 s ILE 143 Ca 0.21 -1.61 -0.35 0.00 0.00 0.00 0.00 60.65 58.89 3kf5 s ILE 143 Cb -0.15 -2.89 -0.13 0.00 0.01 0.00 0.00 42.46 39.30 3kf5 s ILE 143 CO 0.17 -0.23 1.72 -2.65 0.00 0.00 0.00 174.94 173.96 3kf5 n PRO 144 N -0.48 1.90 -1.12 2.79 -0.02 -1.26 -2.03 135.00 134.78 3kf5 n PRO 144 Ca -0.08 0.69 -0.04 0.00 -2.02 0.00 0.00 63.50 62.05 3kf5 n PRO 144 Cb 0.57 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 3kf5 n PRO 144 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3kf5 n ASP 145 N 5.13 -4.84 -3.68 2.55 10.43 -1.26 -4.97 116.55 119.91 3kf5 n ASP 145 Ca 0.21 0.10 -0.09 0.00 2.57 0.00 0.00 54.79 57.58 3kf5 n ASP 145 Cb 0.26 -2.71 -0.10 0.00 1.84 0.00 0.00 41.12 40.41 3kf5 n ASP 145 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3kf5 s ASN 146 N -2.26 -0.54 -0.10 -2.24 2.47 -0.86 -4.39 114.94 107.02 3kf5 s ASN 146 Ca 0.00 1.04 0.04 0.00 0.42 0.00 0.00 52.86 54.36 3kf5 s ASN 146 Cb 0.00 1.08 0.00 0.00 -1.45 0.00 0.00 41.25 40.89 3kf5 s ASN 146 CO 0.00 -0.21 -0.22 -1.10 -3.72 0.00 0.00 177.10 171.84 3kf5 s GLN 147 N 1.83 2.87 0.21 0.43 -0.21 0.86 -0.72 119.66 124.93 3kf5 s GLN 147 Ca -0.07 -0.82 0.02 0.00 0.02 0.00 0.00 55.36 54.50 3kf5 s GLN 147 Cb -0.09 -2.19 -0.05 0.00 1.00 0.00 0.00 33.01 31.68 3kf5 s GLN 147 CO -0.14 0.15 0.05 0.95 -2.12 0.00 0.00 175.29 174.17 3kf5 s THR 148 N 0.41 0.63 -0.26 -0.19 -4.23 -1.13 -4.47 115.64 106.40 3kf5 s THR 148 Ca -0.18 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.26 3kf5 s THR 148 Cb -0.18 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 3kf5 s THR 148 CO 0.08 -0.25 0.11 -1.10 -0.54 0.00 0.00 174.62 172.91 3kf5 s GLN 149 N -3.97 3.75 0.30 3.99 -1.52 -0.51 -1.01 119.66 120.69 3kf5 s GLN 149 Ca 0.30 -0.43 0.11 0.00 -1.95 0.00 0.00 55.36 53.40 3kf5 s GLN 149 Cb 0.07 -3.43 -0.05 0.00 -0.22 0.00 0.00 33.01 29.38 3kf5 s GLN 149 CO 0.09 -0.19 -0.14 -0.51 -0.25 0.00 0.00 175.29 174.29 3kf5 s ASP 150 N 1.66 3.75 0.14 5.90 1.11 0.42 0.37 116.67 130.02 3kf5 s ASP 150 Ca 0.07 -1.03 0.07 0.00 0.18 0.00 0.00 52.55 51.84 3kf5 s ASP 150 Cb -0.15 -0.38 -0.04 0.00 1.07 0.00 0.00 42.92 43.42 3kf5 s ASP 150 CO 0.06 -0.04 -0.16 0.27 1.18 0.00 0.00 175.17 176.48 3kf5 s ILE 151 N -2.52 1.58 0.03 0.77 -4.36 -1.26 -1.20 121.20 114.24 3kf5 s ILE 151 Ca 0.31 -1.80 -0.10 0.00 -0.26 0.00 0.00 60.65 58.80 3kf5 s ILE 151 Cb -0.03 -1.68 0.01 0.00 1.25 0.00 0.00 42.46 42.01 3kf5 s ILE 151 CO 0.16 -0.35 0.21 0.00 0.24 0.00 0.00 174.94 175.20 3kf5 s ALA 152 N -2.03 -0.42 0.05 2.27 0.00 0.28 -2.08 121.76 119.83 3kf5 s ALA 152 Ca 0.12 -0.19 0.07 0.00 0.00 0.00 0.00 51.96 51.96 3kf5 s ALA 152 Cb -0.06 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 3kf5 s ALA 152 CO 0.05 -0.34 -0.18 -0.59 0.00 0.00 0.00 175.76 174.70 3kf5 s PHE 153 N -2.31 1.60 -0.11 0.00 -0.12 -0.16 0.90 117.98 117.78 3kf5 s PHE 153 Ca -0.07 -0.38 0.02 0.00 -0.05 0.00 0.00 56.93 56.45 3kf5 s PHE 153 Cb -0.02 -0.94 -0.01 0.00 -0.63 0.00 0.00 43.02 41.42 3kf5 s PHE 153 CO -0.02 0.09 -0.17 0.45 -0.05 0.00 0.00 175.22 175.51 3kf5 s SER 154 N -1.29 3.68 0.00 1.98 0.15 -0.33 -0.74 113.70 117.15 3kf5 s SER 154 Ca 0.05 -0.39 0.16 0.00 0.70 0.00 0.00 55.95 56.47 3kf5 s SER 154 Cb -0.09 -1.39 -0.07 0.00 -1.71 0.00 0.00 66.02 62.76 3kf5 s SER 154 CO 0.02 0.19 0.76 0.18 1.20 0.00 0.00 173.24 175.60 3kf5 n LEU 155 N 3.32 1.24 -0.87 3.45 4.77 -1.26 -3.88 117.00 123.77 3kf5 n LEU 155 Ca -0.18 -0.66 0.07 0.00 -0.03 0.00 0.00 56.01 55.22 3kf5 n LEU 155 Cb 0.53 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.83 3kf5 n LEU 155 CO 0.29 0.26 0.68 -0.90 -1.33 0.00 0.00 177.39 176.39 3kf5 n ASP 156 N -0.64 3.49 0.00 -1.43 5.75 -1.26 -4.93 116.55 117.53 3kf5 n ASP 156 Ca 0.05 -2.35 0.00 0.00 -0.01 0.00 0.00 54.79 52.48 3kf5 n ASP 156 Cb 0.29 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 3kf5 n ASP 156 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kf5 n GLY 157 N 0.35 0.98 0.58 6.12 0.00 -1.26 -4.52 105.19 107.44 3kf5 n GLY 157 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3kf5 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kf5 n GLY 158 N -2.04 1.41 0.23 -0.02 0.00 -1.26 -5.02 105.19 98.50 3kf5 n GLY 158 Ca 0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 3kf5 n GLY 158 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kf5 n TYR 159 N -1.71 0.00 -4.40 1.61 4.02 -1.26 -5.01 117.16 110.42 3kf5 n TYR 159 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.61 3kf5 n TYR 159 Cb 0.15 -0.49 -0.12 0.00 -0.02 0.00 0.00 39.34 38.85 3kf5 n TYR 159 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3kf5 s THR 160 N -2.25 2.27 0.12 -0.72 -4.23 -1.26 -4.54 115.64 105.02 3kf5 s THR 160 Ca -0.18 -1.85 0.07 0.00 -1.18 0.00 0.00 61.69 58.54 3kf5 s THR 160 Cb 0.05 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 3kf5 s THR 160 CO 0.28 0.00 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.84 3kf5 s PHE 161 N -1.30 1.50 -0.11 3.99 0.40 -1.25 -4.26 117.98 116.94 3kf5 s PHE 161 Ca 0.16 -0.51 0.03 0.00 -0.60 0.00 0.00 56.93 56.02 3kf5 s PHE 161 Cb -0.09 -0.79 0.00 0.00 0.51 0.00 0.00 43.02 42.65 3kf5 s PHE 161 CO 0.07 0.17 -0.22 0.99 0.70 0.00 0.00 175.22 176.93 3kf5 s THR 162 N -1.84 2.19 0.25 0.64 2.01 0.08 -4.93 115.64 114.05 3kf5 s THR 162 Ca 0.08 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.82 3kf5 s THR 162 Cb -0.07 -1.86 -0.09 0.00 0.01 0.00 0.00 72.50 70.50 3kf5 s THR 162 CO 0.04 0.55 0.99 -0.54 -0.69 0.00 0.00 174.62 174.97 3kf5 s LYS 163 N 0.46 4.78 0.06 4.92 1.02 -1.26 -0.98 119.74 128.73 3kf5 s LYS 163 Ca -0.15 1.58 -0.31 0.00 0.02 0.00 0.00 55.97 57.12 3kf5 s LYS 163 Cb -0.17 -3.24 -0.06 0.00 -0.52 0.00 0.00 37.83 33.84 3kf5 s LYS 163 CO 0.06 0.42 1.33 -0.47 -0.92 0.00 0.00 175.35 175.77 3kf5 s TYR 164 N -1.19 3.17 0.30 3.18 5.04 -0.88 -4.92 117.35 122.05 3kf5 s TYR 164 Ca 0.42 1.01 0.03 0.00 -2.44 0.00 0.00 57.07 56.10 3kf5 s TYR 164 Cb -0.28 -3.59 0.78 0.00 0.35 0.00 0.00 41.96 39.22 3kf5 s TYR 164 CO 0.35 -2.06 1.60 0.93 -1.34 0.00 0.00 175.55 175.03 3kf5 h GLU 165 N 7.16 0.08 -0.95 4.97 5.08 -1.94 -1.99 114.58 126.99 3kf5 h GLU 165 Ca -0.40 -0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.50 3kf5 h GLU 165 Cb 1.20 -0.02 -0.27 0.00 0.50 0.00 0.00 28.75 30.16 3kf5 h GLU 165 CO 0.86 0.05 0.57 0.09 -1.00 0.00 0.00 179.01 179.59 3kf5 n ASN 166 N -5.37 3.98 -4.69 1.42 3.02 -1.26 -4.97 115.26 107.39 3kf5 n ASN 166 Ca 0.23 -3.51 -0.38 0.00 -0.03 0.00 0.00 54.58 50.90 3kf5 n ASN 166 Cb 0.77 -0.82 0.05 0.00 -0.61 0.00 0.00 39.78 39.17 3kf5 n ASN 166 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kf5 n ASN 167 N -0.91 1.87 -4.81 6.41 3.02 -0.75 -4.41 115.26 115.68 3kf5 n ASN 167 Ca 0.55 0.88 -0.32 0.00 -0.03 0.00 0.00 54.58 55.67 3kf5 n ASN 167 Cb 1.61 -1.50 0.03 0.00 -0.61 0.00 0.00 39.78 39.30 3kf5 n ASN 167 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3kf5 s PRO 168 N -2.96 3.10 0.06 3.52 0.04 -1.26 -5.11 135.00 132.40 3kf5 s PRO 168 Ca 0.76 1.07 0.09 0.00 0.04 0.00 0.00 61.00 62.96 3kf5 s PRO 168 Cb -0.41 -2.01 -0.22 0.00 0.04 0.00 0.00 34.50 31.90 3kf5 s PRO 168 CO 0.46 -0.98 1.07 -0.39 0.04 0.00 0.00 177.00 177.20 3kf5 h VAL 169 N -0.21 1.42 -3.48 -0.36 -1.51 -0.30 -3.45 116.25 108.37 3kf5 h VAL 169 Ca -0.45 -3.18 -0.38 0.00 -1.23 0.00 0.00 66.70 61.46 3kf5 h VAL 169 Cb 1.21 2.70 -0.34 0.00 -2.13 0.00 0.00 31.29 32.74 3kf5 h VAL 169 CO 0.57 0.81 -0.76 -0.63 -1.23 0.00 0.00 177.57 176.33 3kf5 s ILE 170 N -2.67 0.40 -0.06 7.19 1.01 -0.94 -4.57 121.20 121.56 3kf5 s ILE 170 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 3kf5 s ILE 170 Cb 0.09 -0.45 0.03 0.00 0.01 0.00 0.00 42.46 42.14 3kf5 s ILE 170 CO 0.82 0.19 -0.01 -0.62 0.00 0.00 0.00 174.94 175.33 3kf5 s ASP 171 N 0.94 1.33 -0.10 3.58 3.68 -1.26 -1.42 116.67 123.43 3kf5 s ASP 171 Ca -0.11 -0.08 0.13 0.00 2.13 0.00 0.00 52.55 54.62 3kf5 s ASP 171 Cb -0.14 -0.41 0.36 0.00 -1.45 0.00 0.00 42.92 41.28 3kf5 s ASP 171 CO -0.00 -0.16 1.28 0.52 0.13 0.00 0.00 175.17 176.93 3kf5 n VAL 172 N 4.84 1.70 -3.68 1.11 0.31 -1.26 -4.96 118.33 116.39 3kf5 n VAL 172 Ca -0.12 -1.60 -0.23 0.00 -0.01 0.00 0.00 64.34 62.38 3kf5 n VAL 172 Cb 0.50 0.05 0.05 0.00 -0.91 0.00 0.00 33.84 33.53 3kf5 n VAL 172 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3kf5 n SER 173 N -0.39 -3.29 -4.28 4.52 7.64 -1.26 -5.00 113.62 111.56 3kf5 n SER 173 Ca 0.15 -0.71 -0.25 0.00 1.01 0.00 0.00 58.87 59.07 3kf5 n SER 173 Cb 0.64 -4.43 -0.13 0.00 -1.01 0.00 0.00 64.21 59.28 3kf5 n SER 173 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3kf5 s SER 174 N -3.89 2.56 0.03 6.43 0.15 -1.26 -5.00 113.70 112.71 3kf5 s SER 174 Ca 0.28 -0.65 0.24 0.00 0.70 0.00 0.00 55.95 56.52 3kf5 s SER 174 Cb -0.14 -0.16 0.31 0.00 -1.71 0.00 0.00 66.02 64.32 3kf5 s SER 174 CO 0.78 0.09 1.27 -3.20 1.20 0.00 0.00 173.24 173.38 3kf5 n ASN 175 N 1.25 0.61 -3.31 5.45 5.15 -1.26 -0.10 115.26 123.05 3kf5 n ASN 175 Ca -0.19 -0.28 -0.23 0.00 -0.60 0.00 0.00 54.58 53.28 3kf5 n ASN 175 Cb 0.53 0.43 -0.08 0.00 -0.53 0.00 0.00 39.78 40.13 3kf5 n ASN 175 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 3kf5 s GLN 176 N -3.06 0.84 -0.30 1.20 2.00 -1.26 -4.56 119.66 114.52 3kf5 s GLN 176 Ca 0.09 -1.69 0.01 0.00 -2.00 0.00 0.00 55.36 51.77 3kf5 s GLN 176 Cb 0.16 -1.11 0.19 0.00 0.80 0.00 0.00 33.01 33.06 3kf5 s GLN 176 CO 0.74 -1.33 0.72 0.12 -0.50 0.00 0.00 175.29 175.04 3kf5 s PHE 177 N 0.49 -1.47 0.31 1.67 5.36 -1.26 -2.70 117.98 120.38 3kf5 s PHE 177 Ca 0.28 0.81 -0.15 0.00 -0.96 0.00 0.00 56.93 56.92 3kf5 s PHE 177 Cb -0.03 0.25 0.02 0.00 -0.34 0.00 0.00 43.02 42.92 3kf5 s PHE 177 CO -0.13 -0.87 0.63 -0.98 -1.46 0.00 0.00 175.22 172.42 3kf5 s ARG 178 N 2.78 1.86 -0.43 10.12 1.70 -0.80 -4.31 118.95 129.87 3kf5 s ARG 178 Ca 0.15 -1.30 -0.02 0.00 -0.47 0.00 0.00 55.73 54.10 3kf5 s ARG 178 Cb -0.07 0.55 -0.02 0.00 -0.57 0.00 0.00 34.95 34.84 3kf5 s ARG 178 CO -0.24 -0.83 0.39 -0.25 -1.08 0.00 0.00 175.30 173.29 3kf5 n ASP 179 N -0.84 -4.48 -4.72 -2.89 8.00 -1.26 -2.14 116.55 108.23 3kf5 n ASP 179 Ca -0.04 -0.20 -0.42 0.00 0.71 0.00 0.00 54.79 54.85 3kf5 n ASP 179 Cb 0.60 -2.90 -0.03 0.00 -0.02 0.00 0.00 41.12 38.78 3kf5 n ASP 179 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3kf5 s PRO 180 N -3.36 4.55 -0.22 -0.24 0.04 -1.26 -4.21 135.00 130.30 3kf5 s PRO 180 Ca 0.12 1.52 0.02 0.00 0.04 0.00 0.00 61.00 62.70 3kf5 s PRO 180 Cb -0.02 -3.41 0.04 0.00 0.04 0.00 0.00 34.50 31.15 3kf5 s PRO 180 CO 0.36 -0.05 -0.14 0.21 0.04 0.00 0.00 177.00 177.41 3kf5 s LYS 181 N 0.77 2.64 0.16 4.56 2.47 0.32 -2.50 119.74 128.17 3kf5 s LYS 181 Ca 0.53 -1.08 0.08 0.00 -1.56 0.00 0.00 55.97 53.94 3kf5 s LYS 181 Cb -0.24 -2.76 -0.04 0.00 -1.46 0.00 0.00 37.83 33.33 3kf5 s LYS 181 CO 0.29 -0.39 -0.10 0.14 0.16 0.00 0.00 175.35 175.45 3kf5 s VAL 182 N 1.21 3.23 0.07 4.02 -7.23 -1.26 -0.42 120.40 120.02 3kf5 s VAL 182 Ca -0.02 -1.56 -0.21 0.00 -1.81 0.00 0.00 61.98 58.37 3kf5 s VAL 182 Cb -0.16 -2.58 0.05 0.00 0.56 0.00 0.00 36.38 34.25 3kf5 s VAL 182 CO -0.08 -0.06 0.51 0.72 -0.31 0.00 0.00 175.10 175.88 3kf5 s PHE 183 N -1.58 -0.40 0.05 2.82 -0.12 -0.60 -4.78 117.98 113.36 3kf5 s PHE 183 Ca 0.24 0.37 -0.25 0.00 -0.05 0.00 0.00 56.93 57.23 3kf5 s PHE 183 Cb -0.09 0.35 -0.05 0.00 -0.63 0.00 0.00 43.02 42.59 3kf5 s PHE 183 CO 0.15 -0.67 0.78 -0.46 -0.05 0.00 0.00 175.22 174.97 3kf5 s TRP 184 N -2.79 3.74 -0.28 3.49 -0.11 -1.26 -0.93 118.94 120.80 3kf5 s TRP 184 Ca -0.03 1.50 0.01 0.00 1.22 0.00 0.00 56.10 58.80 3kf5 s TRP 184 Cb -0.00 -2.84 0.08 0.00 -1.50 0.00 0.00 33.47 29.20 3kf5 s TRP 184 CO -0.04 0.27 0.00 -1.58 -4.62 0.00 0.00 176.95 170.98 3kf5 s HIS 185 N -0.05 2.65 1.25 5.86 5.65 -0.63 -4.94 115.29 125.08 3kf5 s HIS 185 Ca 0.39 -2.11 -0.21 0.00 0.25 0.00 0.00 55.06 53.38 3kf5 s HIS 185 Cb -0.21 -1.98 0.32 0.00 -1.18 0.00 0.00 32.58 29.53 3kf5 s HIS 185 CO 0.24 -0.85 0.96 0.39 -0.65 0.00 0.00 174.74 174.83 3kf5 n GLU 186 N 4.59 -3.66 -0.16 2.88 -0.58 -1.26 -1.98 120.64 120.46 3kf5 n GLU 186 Ca -0.06 -1.56 0.00 0.00 -0.42 0.00 0.00 57.16 55.12 3kf5 n GLU 186 Cb 0.43 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 3kf5 n GLU 186 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3kf5 n ASP 187 N -5.11 0.00 0.00 1.62 5.75 -1.26 -3.92 116.55 113.64 3kf5 n ASP 187 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 3kf5 n ASP 187 Cb 0.56 -1.02 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 3kf5 n ASP 187 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3kf5 n SER 188 N 0.00 0.11 -3.66 -1.12 3.41 -1.24 -5.03 113.62 106.09 3kf5 n SER 188 Ca 0.00 -0.53 -0.22 0.00 -0.26 0.00 0.00 58.87 57.86 3kf5 n SER 188 Cb 0.00 0.83 0.05 0.00 -0.26 0.00 0.00 64.21 64.83 3kf5 n SER 188 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3kf5 n ASN 189 N -0.83 -2.76 -3.72 4.04 4.05 -0.84 -5.00 115.26 110.21 3kf5 n ASN 189 Ca 0.00 -0.73 -0.11 0.00 0.45 0.00 0.00 54.58 54.19 3kf5 n ASN 189 Cb 0.00 -4.42 -0.06 0.00 1.23 0.00 0.00 39.78 36.53 3kf5 n ASN 189 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kf5 s GLN 190 N -5.99 0.90 0.11 1.20 -2.07 -1.04 -4.85 119.66 107.92 3kf5 s GLN 190 Ca 0.20 -0.59 -0.30 0.00 -1.82 0.00 0.00 55.36 52.85 3kf5 s GLN 190 Cb -0.10 0.39 -0.07 0.00 -1.09 0.00 0.00 33.01 32.15 3kf5 s GLN 190 CO 0.78 -0.31 1.23 -1.58 -1.32 0.00 0.00 175.29 174.09 3kf5 s TRP 191 N -3.03 3.41 -0.17 9.60 0.52 0.24 -1.60 118.94 127.90 3kf5 s TRP 191 Ca -0.02 1.29 -0.05 0.00 0.02 0.00 0.00 56.10 57.34 3kf5 s TRP 191 Cb 0.01 -3.46 -0.03 0.00 -1.15 0.00 0.00 33.47 28.83 3kf5 s TRP 191 CO -0.06 -1.42 0.01 0.42 0.02 0.00 0.00 176.95 175.92 3kf5 s ILE 192 N 0.73 4.25 -0.19 2.03 -1.09 -0.11 -1.55 121.20 125.27 3kf5 s ILE 192 Ca 0.58 -0.23 -0.06 0.00 -2.23 0.00 0.00 60.65 58.71 3kf5 s ILE 192 Cb -0.31 -2.89 -0.03 0.00 -1.58 0.00 0.00 42.46 37.64 3kf5 s ILE 192 CO 0.32 0.47 0.02 -0.32 -1.23 0.00 0.00 174.94 174.19 3kf5 s MET 193 N 0.50 3.76 -0.36 2.79 -2.45 -0.30 -1.56 119.30 121.68 3kf5 s MET 193 Ca -0.00 -0.45 -0.07 0.00 -1.25 0.00 0.00 55.69 53.91 3kf5 s MET 193 Cb -0.14 -3.12 0.05 0.00 1.25 0.00 0.00 34.83 32.87 3kf5 s MET 193 CO 0.02 0.13 0.15 0.54 1.05 0.00 0.00 175.02 176.91 3kf5 s VAL 194 N 0.71 3.91 0.24 10.11 0.11 0.44 -0.48 120.40 135.44 3kf5 s VAL 194 Ca 0.01 -1.22 0.04 0.00 -2.93 0.00 0.00 61.98 57.89 3kf5 s VAL 194 Cb -0.14 -3.28 -0.05 0.00 -1.53 0.00 0.00 36.38 31.38 3kf5 s VAL 194 CO 0.02 -0.28 -0.02 0.54 -3.33 0.00 0.00 175.10 172.03 3kf5 s VAL 195 N 1.40 1.20 -0.10 2.04 0.11 -0.72 -0.52 120.40 123.82 3kf5 s VAL 195 Ca 0.00 -2.06 0.02 0.00 -2.93 0.00 0.00 61.98 57.01 3kf5 s VAL 195 Cb -0.20 -2.34 0.01 0.00 -1.53 0.00 0.00 36.38 32.32 3kf5 s VAL 195 CO 0.03 -0.35 -0.16 -0.94 -3.33 0.00 0.00 175.10 170.35 3kf5 s SER 196 N -3.33 2.37 -0.99 3.54 1.04 -0.91 0.41 113.70 115.83 3kf5 s SER 196 Ca 0.28 -0.41 -0.19 0.00 0.48 0.00 0.00 55.95 56.11 3kf5 s SER 196 Cb 0.05 -1.07 0.12 0.00 0.10 0.00 0.00 66.02 65.22 3kf5 s SER 196 CO 0.09 0.04 1.24 -0.75 0.98 0.00 0.00 173.24 174.84 3kf5 s LYS 197 N 0.82 3.68 0.16 4.02 2.20 -0.15 -1.90 119.74 128.58 3kf5 s LYS 197 Ca -0.10 -1.77 -0.24 0.00 -0.36 0.00 0.00 55.97 53.50 3kf5 s LYS 197 Cb -0.16 -5.04 0.05 0.00 -1.51 0.00 0.00 37.83 31.18 3kf5 s LYS 197 CO 0.01 -1.86 1.59 0.77 -0.36 0.00 0.00 175.35 175.49 3kf5 h SER 198 N 8.74 -1.24 0.26 1.43 0.02 -1.68 -1.81 113.55 119.27 3kf5 h SER 198 Ca 0.20 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3kf5 h SER 198 Cb 1.00 0.57 0.00 0.00 0.14 0.00 0.00 62.40 64.11 3kf5 h SER 198 CO 1.19 -0.34 -0.17 0.00 -1.14 0.00 0.00 176.83 176.37 3kf5 n GLN 199 N -5.42 0.86 0.00 3.45 6.02 -1.26 -1.34 117.38 119.69 3kf5 n GLN 199 Ca 0.01 -0.43 0.13 0.00 -0.01 0.00 0.00 57.00 56.70 3kf5 n GLN 199 Cb 0.35 -1.49 0.41 0.00 1.02 0.00 0.00 30.24 30.53 3kf5 n GLN 199 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3kf5 n GLU 200 N -0.70 1.16 -3.79 -1.09 1.02 -0.69 -4.96 120.64 111.59 3kf5 n GLU 200 Ca 0.14 -0.70 -0.27 0.00 -0.02 0.00 0.00 57.16 56.31 3kf5 n GLU 200 Cb 0.32 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.29 3kf5 n GLU 200 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3kf5 n TYR 201 N -0.31 -2.31 -4.64 -0.32 4.02 -1.15 -5.01 117.16 107.43 3kf5 n TYR 201 Ca 0.14 0.91 -0.29 0.00 -0.01 0.00 0.00 57.90 58.66 3kf5 n TYR 201 Cb 0.36 -4.31 -0.17 0.00 -0.02 0.00 0.00 39.34 35.20 3kf5 n TYR 201 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3kf5 s LYS 202 N -6.36 2.40 -0.29 -0.72 -0.14 -1.22 -4.46 119.74 108.95 3kf5 s LYS 202 Ca 0.47 -0.63 -0.26 0.00 -1.36 0.00 0.00 55.97 54.18 3kf5 s LYS 202 Cb -0.23 -1.96 0.01 0.00 -1.68 0.00 0.00 37.83 33.97 3kf5 s LYS 202 CO 0.80 0.00 0.91 0.42 -0.76 0.00 0.00 175.35 176.73 3kf5 s ILE 203 N 0.80 4.70 -0.17 2.17 1.01 0.18 -0.97 121.20 128.91 3kf5 s ILE 203 Ca -0.10 1.51 -0.13 0.00 0.00 0.00 0.00 60.65 61.92 3kf5 s ILE 203 Cb -0.16 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.02 3kf5 s ILE 203 CO 0.01 -0.28 0.26 -1.10 0.00 0.00 0.00 174.94 173.83 3kf5 s GLN 204 N 3.17 4.24 -0.27 2.79 -0.21 0.17 -0.69 119.66 128.86 3kf5 s GLN 204 Ca 0.38 0.03 -0.08 0.00 0.02 0.00 0.00 55.36 55.71 3kf5 s GLN 204 Cb -0.14 -3.44 -0.02 0.00 1.00 0.00 0.00 33.01 30.42 3kf5 s GLN 204 CO 0.12 0.22 0.09 0.42 -2.12 0.00 0.00 175.29 174.02 3kf5 s ILE 205 N 0.53 4.30 0.21 1.08 1.01 0.13 -1.75 121.20 126.71 3kf5 s ILE 205 Ca 0.15 -0.32 0.08 0.00 0.00 0.00 0.00 60.65 60.56 3kf5 s ILE 205 Cb -0.13 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 3kf5 s ILE 205 CO 0.03 0.24 0.05 -0.36 0.00 0.00 0.00 174.94 174.90 3kf5 s PHE 206 N 1.59 2.88 0.20 3.97 0.08 0.37 -0.23 117.98 126.85 3kf5 s PHE 206 Ca 0.05 -0.14 0.09 0.00 0.12 0.00 0.00 56.93 57.05 3kf5 s PHE 206 Cb -0.16 -1.34 -0.04 0.00 -0.57 0.00 0.00 43.02 40.90 3kf5 s PHE 206 CO 0.04 0.55 -0.18 0.20 -0.10 0.00 0.00 175.22 175.73 3kf5 s GLY 207 N -3.35 1.50 -0.27 4.36 0.00 0.41 -1.16 107.32 108.82 3kf5 s GLY 207 Ca 0.30 -1.61 -0.26 0.00 0.00 0.00 0.00 44.72 43.15 3kf5 s GLY 207 CO 0.21 -1.68 1.09 -0.45 0.00 0.00 0.00 173.10 172.27 3kf5 s SER 208 N -2.99 -0.37 -0.09 1.64 0.15 -0.59 -0.89 113.70 110.55 3kf5 s SER 208 Ca 0.20 0.68 0.19 0.00 0.70 0.00 0.00 55.95 57.72 3kf5 s SER 208 Cb -0.04 0.67 0.71 0.00 -1.71 0.00 0.00 66.02 65.65 3kf5 s SER 208 CO 0.08 -0.15 1.62 0.00 1.20 0.00 0.00 173.24 175.98 3kf5 n ALA 209 N 1.89 2.98 0.00 5.45 0.00 -1.26 0.81 120.51 130.38 3kf5 n ALA 209 Ca -0.12 -1.53 0.00 0.00 0.00 0.00 0.00 53.44 51.80 3kf5 n ALA 209 Cb 0.56 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3kf5 n ALA 209 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kf5 n ASN 210 N 1.24 0.75 0.00 0.00 4.05 -1.26 -4.86 115.26 115.18 3kf5 n ASN 210 Ca 0.26 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.29 3kf5 n ASN 210 Cb 0.85 0.01 0.00 0.00 1.23 0.00 0.00 39.78 41.87 3kf5 n ASN 210 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3kf5 n LEU 211 N -1.56 0.00 -0.11 1.20 4.77 -1.26 -3.96 117.00 116.08 3kf5 n LEU 211 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 3kf5 n LEU 211 Cb 0.09 -0.18 -0.09 0.00 -2.33 0.00 0.00 43.42 40.92 3kf5 n LEU 211 CO 0.00 0.00 -1.27 0.29 -1.33 0.00 0.00 177.39 175.08 3kf5 n LYS 212 N -1.97 0.49 -3.84 3.23 5.02 -1.26 -4.95 118.16 114.88 3kf5 n LYS 212 Ca 0.00 0.19 -0.36 0.00 -2.02 0.00 0.00 58.31 56.13 3kf5 n LYS 212 Cb 0.00 -1.33 -0.11 0.00 -0.02 0.00 0.00 35.03 33.57 3kf5 n LYS 212 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3kf5 s ASN 213 N -6.85 5.54 0.16 4.39 0.01 -1.26 -4.72 114.94 112.21 3kf5 s ASN 213 Ca -0.31 -0.03 0.11 0.00 -0.71 0.00 0.00 52.86 51.91 3kf5 s ASN 213 Cb 0.11 -1.98 -0.04 0.00 0.41 0.00 0.00 41.25 39.75 3kf5 s ASN 213 CO 0.42 0.06 -0.25 0.26 -1.51 0.00 0.00 177.10 176.07 3kf5 s TRP 214 N 1.07 2.31 -0.05 2.20 0.52 -1.26 -4.44 118.94 119.29 3kf5 s TRP 214 Ca 0.05 -0.37 0.02 0.00 0.02 0.00 0.00 56.10 55.82 3kf5 s TRP 214 Cb -0.14 -1.20 0.02 0.00 -1.15 0.00 0.00 33.47 30.99 3kf5 s TRP 214 CO 0.04 0.41 -0.09 0.08 0.02 0.00 0.00 176.95 177.41 3kf5 s VAL 215 N -1.34 0.86 -0.10 4.03 1.01 -0.07 -4.93 120.40 119.87 3kf5 s VAL 215 Ca 0.17 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 3kf5 s VAL 215 Cb -0.09 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3kf5 s VAL 215 CO 0.08 0.29 1.43 -0.22 0.00 0.00 0.00 175.10 176.68 3kf5 s LEU 216 N 0.73 4.25 -0.26 3.92 2.96 -1.26 -0.44 118.68 128.57 3kf5 s LEU 216 Ca -0.13 1.96 -0.04 0.00 -0.22 0.00 0.00 54.13 55.70 3kf5 s LEU 216 Cb -0.15 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.85 3kf5 s LEU 216 CO 0.02 -0.81 -0.27 0.59 -1.32 0.00 0.00 176.35 174.55 3kf5 n ASN 217 N 6.60 1.98 -3.76 3.68 3.02 0.68 -4.95 115.26 122.51 3kf5 n ASN 217 Ca 0.15 0.03 -0.06 0.00 -0.03 0.00 0.00 54.58 54.67 3kf5 n ASN 217 Cb 0.44 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 39.04 3kf5 n ASN 217 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kf5 s SER 218 N -6.85 -0.24 -0.05 6.41 1.04 -1.12 -4.81 113.70 108.07 3kf5 s SER 218 Ca -0.36 -0.44 0.06 0.00 0.48 0.00 0.00 55.95 55.69 3kf5 s SER 218 Cb 0.11 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.80 3kf5 s SER 218 CO 0.56 -1.07 -0.25 0.20 0.98 0.00 0.00 173.24 173.66 3kf5 s ASN 219 N -2.90 3.12 -0.06 7.02 0.01 -1.26 -0.69 114.94 120.18 3kf5 s ASN 219 Ca 0.11 -0.49 0.03 0.00 -0.71 0.00 0.00 52.86 51.80 3kf5 s ASN 219 Cb -0.03 -0.76 0.00 0.00 0.41 0.00 0.00 41.25 40.87 3kf5 s ASN 219 CO 0.03 0.26 -0.16 0.12 -1.51 0.00 0.00 177.10 175.84 3kf5 s PHE 220 N -0.26 1.75 -0.19 2.20 5.36 0.14 -4.96 117.98 122.01 3kf5 s PHE 220 Ca -0.01 -0.61 -0.04 0.00 -0.96 0.00 0.00 56.93 55.31 3kf5 s PHE 220 Cb -0.13 -1.22 0.08 0.00 -0.34 0.00 0.00 43.02 41.41 3kf5 s PHE 220 CO 0.03 -0.26 0.16 -1.12 -1.46 0.00 0.00 175.22 172.56 3kf5 s SER 221 N 0.37 1.94 0.00 6.13 0.01 -1.26 -0.64 113.70 120.25 3kf5 s SER 221 Ca -0.11 -0.47 -0.00 0.00 1.31 0.00 0.00 55.95 56.67 3kf5 s SER 221 Cb -0.15 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.14 3kf5 s SER 221 CO 0.04 -0.34 0.01 -0.24 0.41 0.00 0.00 173.24 173.11 3kf5 n SER 222 N 5.30 -0.02 0.00 2.44 2.88 -1.26 -5.11 113.62 117.84 3kf5 n SER 222 Ca -0.06 -1.01 0.00 0.00 -1.33 0.00 0.00 58.87 56.46 3kf5 n SER 222 Cb 0.49 0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 3kf5 n SER 222 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kf5 n GLY 223 N -0.00 0.55 3.60 0.46 0.00 -1.26 -4.61 105.19 103.93 3kf5 n GLY 223 Ca -0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 3kf5 n GLY 223 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kf5 s TYR 224 N 0.00 3.13 -0.04 1.61 5.04 -1.26 -4.95 117.35 120.88 3kf5 s TYR 224 Ca 0.00 0.76 -0.25 0.00 -2.44 0.00 0.00 57.07 55.14 3kf5 s TYR 224 Cb 0.00 -3.46 -0.19 0.00 0.35 0.00 0.00 41.96 38.66 3kf5 s TYR 224 CO 0.00 -0.72 1.10 1.88 -1.34 0.00 0.00 175.55 176.47 3kf5 h TYR 225 N 8.34 -0.09 0.00 4.97 -1.99 -1.96 -3.48 116.97 122.75 3kf5 h TYR 225 Ca -0.24 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.49 3kf5 h TYR 225 Cb 1.09 0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.85 3kf5 h TYR 225 CO 0.80 0.41 0.00 0.41 -0.00 0.00 0.00 178.16 179.79 3kf5 n GLY 226 N 0.41 2.33 0.07 3.88 0.00 -1.26 -4.00 105.19 106.63 3kf5 n GLY 226 Ca -0.08 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 3kf5 n GLY 226 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3kf5 h ASN 227 N 8.00 0.00 -5.09 1.61 -1.24 -1.84 -3.45 115.58 113.58 3kf5 h ASN 227 Ca 0.00 -0.53 -0.13 0.00 0.71 0.00 0.00 56.30 56.35 3kf5 h ASN 227 Cb 0.00 0.00 -0.18 0.00 0.73 0.00 0.00 38.32 38.87 3kf5 h ASN 227 CO 0.00 0.84 -0.58 -1.10 -1.29 0.00 0.00 177.43 175.30 3kf5 s GLN 228 N -1.98 0.54 0.13 6.67 -0.21 -1.24 -4.80 119.66 118.77 3kf5 s GLN 228 Ca -0.12 -0.79 -0.29 0.00 0.02 0.00 0.00 55.36 54.18 3kf5 s GLN 228 Cb -0.01 0.21 -0.07 0.00 1.00 0.00 0.00 33.01 34.14 3kf5 s GLN 228 CO 0.40 -0.12 0.90 0.71 -2.12 0.00 0.00 175.29 175.05 3kf5 s TYR 229 N -2.58 3.85 0.05 0.91 1.51 -0.45 -3.50 117.35 117.15 3kf5 s TYR 229 Ca -0.05 1.75 -0.02 0.00 -1.01 0.00 0.00 57.07 57.73 3kf5 s TYR 229 Cb -0.01 -2.96 -0.04 0.00 -0.11 0.00 0.00 41.96 38.84 3kf5 s TYR 229 CO -0.05 0.31 -0.01 -1.21 -1.11 0.00 0.00 175.55 173.48 3kf5 s GLU 230 N -0.38 0.63 -0.75 -0.62 2.02 0.18 -4.19 118.70 115.59 3kf5 s GLU 230 Ca 0.43 -1.18 -0.02 0.00 0.02 0.00 0.00 54.97 54.22 3kf5 s GLU 230 Cb -0.23 0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.22 3kf5 s GLU 230 CO 0.29 -0.13 0.56 0.00 0.02 0.00 0.00 175.26 176.00 3kf5 s PRO 232 N -4.65 3.75 0.05 0.00 0.04 -1.26 -3.37 135.00 129.56 3kf5 s PRO 232 Ca 0.02 0.92 0.02 0.00 0.04 0.00 0.00 61.00 61.99 3kf5 s PRO 232 Cb -0.00 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 3kf5 s PRO 232 CO 0.83 -0.44 -0.07 0.20 0.04 0.00 0.00 177.00 177.56 3kf5 s GLY 233 N -3.39 0.54 -0.12 0.56 0.00 0.20 -4.50 107.32 100.60 3kf5 s GLY 233 Ca 0.58 -0.91 -0.05 0.00 0.00 0.00 0.00 44.72 44.35 3kf5 s GLY 233 CO 0.39 -0.98 0.25 -2.27 0.00 0.00 0.00 173.10 170.49 3kf5 s LEU 234 N -1.98 -0.22 -0.04 0.66 2.96 -1.26 0.10 118.68 118.91 3kf5 s LEU 234 Ca -0.05 0.55 -0.27 0.00 -0.22 0.00 0.00 54.13 54.15 3kf5 s LEU 234 Cb -0.06 0.65 0.06 0.00 0.50 0.00 0.00 46.19 47.34 3kf5 s LEU 234 CO -0.02 -0.23 0.59 -0.51 -1.32 0.00 0.00 176.35 174.86 3kf5 s ILE 235 N 2.31 0.01 -0.30 6.68 2.07 -0.95 -4.97 121.20 126.06 3kf5 s ILE 235 Ca 0.01 -0.12 -0.21 0.00 -1.41 0.00 0.00 60.65 58.92 3kf5 s ILE 235 Cb -0.12 -0.90 -0.01 0.00 0.13 0.00 0.00 42.46 41.56 3kf5 s ILE 235 CO -0.08 -0.07 0.64 -0.70 -1.91 0.00 0.00 174.94 172.83 3kf5 s GLU 236 N -1.23 3.93 -0.13 3.50 2.12 -1.26 -0.88 118.70 124.75 3kf5 s GLU 236 Ca -0.12 0.35 -0.01 0.00 0.36 0.00 0.00 54.97 55.56 3kf5 s GLU 236 Cb -0.01 -3.72 -0.02 0.00 0.26 0.00 0.00 34.13 30.64 3kf5 s GLU 236 CO 0.08 -0.56 -0.10 0.08 -0.54 0.00 0.00 175.26 174.22 3kf5 s VAL 237 N 2.63 3.36 0.51 3.70 1.01 0.69 -4.88 120.40 127.42 3kf5 s VAL 237 Ca 0.26 -0.56 -0.21 0.00 0.00 0.00 0.00 61.98 61.48 3kf5 s VAL 237 Cb -0.15 -2.42 -0.07 0.00 0.00 0.00 0.00 36.38 33.74 3kf5 s VAL 237 CO 0.11 0.53 1.13 -2.16 0.00 0.00 0.00 175.10 174.71 3kf5 s PRO 238 N 0.18 3.52 -0.02 2.72 0.04 -1.26 -1.19 135.00 138.99 3kf5 s PRO 238 Ca -0.06 1.63 -0.21 0.00 0.04 0.00 0.00 61.00 62.41 3kf5 s PRO 238 Cb -0.15 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 3kf5 s PRO 238 CO 0.04 -0.72 0.59 0.42 0.04 0.00 0.00 177.00 177.38 3kf5 s ILE 239 N -1.72 4.95 0.23 0.56 1.01 -0.69 -0.99 121.20 124.55 3kf5 s ILE 239 Ca 0.69 1.24 -0.07 0.00 0.00 0.00 0.00 60.65 62.51 3kf5 s ILE 239 Cb -0.25 -3.93 0.19 0.00 0.01 0.00 0.00 42.46 38.48 3kf5 s ILE 239 CO 0.28 0.39 1.72 -0.33 0.00 0.00 0.00 174.94 177.00 3kf5 h GLU 240 N 5.84 0.33 0.03 2.79 5.08 -1.34 -3.15 114.58 124.16 3kf5 h GLU 240 Ca -0.44 -0.02 -0.36 0.00 -1.00 0.00 0.00 59.36 57.53 3kf5 h GLU 240 Cb 1.20 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.33 3kf5 h GLU 240 CO 0.71 0.22 -2.06 0.09 -1.00 0.00 0.00 179.01 176.96 3kf5 n ASN 241 N -5.07 1.98 -3.63 1.42 3.02 -1.26 -5.01 115.26 106.71 3kf5 n ASN 241 Ca 0.11 0.22 -0.30 0.00 -0.03 0.00 0.00 54.58 54.58 3kf5 n ASN 241 Cb 0.36 -0.78 0.27 0.00 -0.61 0.00 0.00 39.78 39.03 3kf5 n ASN 241 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kf5 s SER 242 N -7.00 -0.34 0.00 6.41 1.04 -1.19 -4.94 113.70 107.68 3kf5 s SER 242 Ca -0.31 0.83 0.25 0.00 0.48 0.00 0.00 55.95 57.20 3kf5 s SER 242 Cb 0.09 -1.18 0.72 0.00 0.10 0.00 0.00 66.02 65.75 3kf5 s SER 242 CO 0.61 -4.92 1.56 -0.90 0.98 0.00 0.00 173.24 170.56 3kf5 n ASP 243 N -5.33 2.08 -4.85 7.02 5.68 -1.26 -4.75 116.55 115.15 3kf5 n ASP 243 Ca 0.12 -1.71 -0.31 0.00 -0.50 0.00 0.00 54.79 52.39 3kf5 n ASP 243 Cb 0.59 -0.05 0.04 0.00 -1.14 0.00 0.00 41.12 40.56 3kf5 n ASP 243 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3kf5 s LYS 244 N -1.91 3.13 0.33 0.11 -0.14 -1.26 -4.97 119.74 115.03 3kf5 s LYS 244 Ca 0.35 0.78 -0.07 0.00 -1.36 0.00 0.00 55.97 55.66 3kf5 s LYS 244 Cb 0.20 -2.02 0.01 0.00 -1.68 0.00 0.00 37.83 34.34 3kf5 s LYS 244 CO 0.31 -0.92 0.54 -1.54 -0.76 0.00 0.00 175.35 172.98 3kf5 s SER 245 N -4.03 0.51 0.13 2.83 1.04 -1.26 -1.70 113.70 111.22 3kf5 s SER 245 Ca 0.57 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.71 3kf5 s SER 245 Cb -0.12 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 3kf5 s SER 245 CO 0.54 -1.34 0.01 -0.54 0.98 0.00 0.00 173.24 172.88 3kf5 s LYS 246 N -3.11 0.93 -0.05 4.02 -0.14 -0.34 -4.88 119.74 116.18 3kf5 s LYS 246 Ca 0.26 -1.43 -0.15 0.00 -1.36 0.00 0.00 55.97 53.29 3kf5 s LYS 246 Cb -0.01 -0.01 -0.05 0.00 -1.68 0.00 0.00 37.83 36.07 3kf5 s LYS 246 CO 0.16 -0.16 0.40 -1.58 -0.76 0.00 0.00 175.35 173.42 3kf5 s TRP 247 N -3.82 3.65 -0.13 3.18 0.52 -0.45 -0.22 118.94 121.66 3kf5 s TRP 247 Ca 0.20 0.92 0.03 0.00 0.02 0.00 0.00 56.10 57.26 3kf5 s TRP 247 Cb 0.07 -2.34 0.01 0.00 -1.15 0.00 0.00 33.47 30.05 3kf5 s TRP 247 CO -0.00 0.50 -0.22 0.08 0.02 0.00 0.00 176.95 177.32 3kf5 s VAL 248 N -0.54 2.05 -0.24 4.03 1.01 -0.06 -1.07 120.40 125.59 3kf5 s VAL 248 Ca 0.23 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 3kf5 s VAL 248 Cb -0.16 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3kf5 s VAL 248 CO 0.11 0.55 0.49 -0.04 0.00 0.00 0.00 175.10 176.22 3kf5 s MET 249 N 0.69 4.11 -0.13 2.72 -1.94 -0.53 -2.23 119.30 121.99 3kf5 s MET 249 Ca -0.10 0.31 -0.07 0.00 -1.71 0.00 0.00 55.69 54.12 3kf5 s MET 249 Cb -0.16 -3.61 -0.04 0.00 2.01 0.00 0.00 34.83 33.02 3kf5 s MET 249 CO 0.01 -0.25 0.13 -0.06 -0.01 0.00 0.00 175.02 174.84 3kf5 s PHE 250 N 1.98 3.55 -0.06 -0.03 0.40 0.12 -0.75 117.98 123.18 3kf5 s PHE 250 Ca 0.21 0.48 -0.03 0.00 -0.60 0.00 0.00 56.93 57.00 3kf5 s PHE 250 Cb -0.15 -1.97 0.04 0.00 0.51 0.00 0.00 43.02 41.44 3kf5 s PHE 250 CO 0.09 0.66 0.14 -1.17 0.70 0.00 0.00 175.22 175.63 3kf5 s LEU 251 N -0.79 0.68 -0.12 -0.37 2.96 -0.36 0.59 118.68 121.27 3kf5 s LEU 251 Ca 0.14 0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 54.27 3kf5 s LEU 251 Cb -0.12 0.31 -0.04 0.00 0.50 0.00 0.00 46.19 46.84 3kf5 s LEU 251 CO 0.03 -0.16 0.09 0.00 -1.32 0.00 0.00 176.35 174.99 3kf5 s ALA 252 N 1.26 3.64 -0.00 5.97 0.00 -0.01 -0.31 121.76 132.31 3kf5 s ALA 252 Ca -0.08 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.23 3kf5 s ALA 252 Cb -0.12 -1.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.16 3kf5 s ALA 252 CO -0.06 0.54 -0.18 0.96 0.00 0.00 0.00 175.76 177.02 3kf5 s ILE 253 N -0.76 1.40 -0.28 0.00 -4.36 -0.50 0.52 121.20 117.22 3kf5 s ILE 253 Ca 0.13 -0.83 -0.24 0.00 -0.26 0.00 0.00 60.65 59.45 3kf5 s ILE 253 Cb -0.12 -1.18 0.09 0.00 1.25 0.00 0.00 42.46 42.50 3kf5 s ILE 253 CO 0.03 0.33 0.82 0.21 0.24 0.00 0.00 174.94 176.57 3kf5 s ASN 254 N -0.58 -0.67 -0.47 4.36 2.47 -1.23 -1.55 114.94 117.27 3kf5 s ASN 254 Ca 0.06 1.26 -0.01 0.00 0.42 0.00 0.00 52.86 54.59 3kf5 s ASN 254 Cb -0.07 1.28 0.36 0.00 -1.45 0.00 0.00 41.25 41.37 3kf5 s ASN 254 CO -0.00 -0.21 1.97 -0.81 -3.72 0.00 0.00 177.10 174.33 3kf5 n PRO 255 N 2.71 2.21 0.00 0.43 -0.04 -1.26 -3.71 135.00 135.33 3kf5 n PRO 255 Ca -0.14 -2.42 0.14 0.00 -0.04 0.00 0.00 63.50 61.04 3kf5 n PRO 255 Cb 0.56 -1.95 0.54 0.00 -0.04 0.00 0.00 33.50 32.61 3kf5 n PRO 255 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kf5 n GLY 256 N -0.38 -0.91 3.60 0.55 0.00 -1.22 -4.71 105.19 102.13 3kf5 n GLY 256 Ca 0.47 -0.30 -0.56 0.00 0.00 0.00 0.00 46.02 45.63 3kf5 n GLY 256 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kf5 n SER 257 N -0.94 1.33 0.27 1.61 2.88 -0.74 -4.64 113.62 113.40 3kf5 n SER 257 Ca 0.13 1.13 0.15 0.00 -1.33 0.00 0.00 58.87 58.95 3kf5 n SER 257 Cb 0.30 -1.09 0.86 0.00 -0.75 0.00 0.00 64.21 63.53 3kf5 n SER 257 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3kf5 h PRO 258 N 4.69 0.00 0.00 -1.46 0.13 -1.94 -0.99 132.00 132.44 3kf5 h PRO 258 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3kf5 h PRO 258 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 3kf5 h PRO 258 CO 0.80 0.00 -0.12 -0.07 -0.23 0.00 0.00 178.00 178.37 3kf5 h LEU 259 N 0.00 0.00 0.00 1.56 4.07 -1.94 -3.49 115.31 115.50 3kf5 h LEU 259 Ca 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3kf5 h LEU 259 Cb 0.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.87 3kf5 h LEU 259 CO -0.00 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 177.98 3kf5 n GLY 260 N 1.21 -0.69 0.00 0.83 0.00 -0.38 -5.02 105.19 101.14 3kf5 n GLY 260 Ca 0.04 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3kf5 n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kf5 n GLY 261 N 0.00 -0.01 3.88 -0.02 0.00 -1.26 -3.76 105.19 104.01 3kf5 n GLY 261 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3kf5 n GLY 261 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kf5 s SER 262 N -1.00 5.95 0.08 1.61 1.04 -1.26 -1.78 113.70 118.33 3kf5 s SER 262 Ca 0.00 0.02 -0.26 0.00 0.48 0.00 0.00 55.95 56.19 3kf5 s SER 262 Cb 0.00 -1.68 0.08 0.00 0.10 0.00 0.00 66.02 64.52 3kf5 s SER 262 CO 0.00 0.05 0.77 -0.51 0.98 0.00 0.00 173.24 174.53 3kf5 s ILE 263 N -1.76 0.00 -0.06 -1.02 2.07 -0.60 -4.85 121.20 114.98 3kf5 s ILE 263 Ca 0.33 -0.06 0.02 0.00 -1.41 0.00 0.00 60.65 59.52 3kf5 s ILE 263 Cb -0.10 -1.08 -0.03 0.00 0.13 0.00 0.00 42.46 41.38 3kf5 s ILE 263 CO 0.26 0.00 -0.09 0.20 -1.91 0.00 0.00 174.94 173.40 3kf5 s ASN 264 N -2.63 4.46 0.31 4.50 0.01 -1.23 -1.42 114.94 118.95 3kf5 s ASN 264 Ca 0.04 -0.08 0.03 0.00 -0.71 0.00 0.00 52.86 52.14 3kf5 s ASN 264 Cb -0.01 -1.09 -0.06 0.00 0.41 0.00 0.00 41.25 40.51 3kf5 s ASN 264 CO -0.10 0.35 0.08 0.00 -1.51 0.00 0.00 177.10 175.93 3kf5 s GLN 265 N -0.76 1.61 0.12 -0.60 -2.07 0.57 -0.69 119.66 117.84 3kf5 s GLN 265 Ca 0.12 -1.90 -0.12 0.00 -1.82 0.00 0.00 55.36 51.64 3kf5 s GLN 265 Cb -0.11 -0.64 0.01 0.00 -1.09 0.00 0.00 33.01 31.18 3kf5 s GLN 265 CO 0.01 -0.26 0.29 1.52 -1.32 0.00 0.00 175.29 175.54 3kf5 s TYR 266 N -3.43 0.06 0.03 9.60 -0.85 -0.58 -1.23 117.35 120.95 3kf5 s TYR 266 Ca 0.36 -0.44 0.03 0.00 -0.52 0.00 0.00 57.07 56.49 3kf5 s TYR 266 Cb 0.08 0.07 -0.02 0.00 0.38 0.00 0.00 41.96 42.47 3kf5 s TYR 266 CO 0.15 -0.65 -0.09 -0.06 -1.52 0.00 0.00 175.55 173.38 3kf5 s PHE 267 N -3.86 0.80 -0.17 -3.49 0.08 0.07 -4.16 117.98 107.25 3kf5 s PHE 267 Ca 0.07 -0.32 -0.00 0.00 0.12 0.00 0.00 56.93 56.79 3kf5 s PHE 267 Cb 0.03 -0.49 -0.00 0.00 -0.57 0.00 0.00 43.02 41.99 3kf5 s PHE 267 CO -0.09 -0.02 -0.14 0.08 -0.10 0.00 0.00 175.22 174.95 3kf5 s VAL 268 N -0.79 2.74 0.00 -0.44 1.01 -1.26 -1.46 120.40 120.20 3kf5 s VAL 268 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3kf5 s VAL 268 Cb -0.07 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.14 3kf5 s VAL 268 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3kf5 n GLY 269 N 4.19 1.88 3.60 4.51 0.00 -0.23 0.14 105.19 119.29 3kf5 n GLY 269 Ca -0.19 0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 3kf5 n GLY 269 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kf5 s ASP 270 N 2.00 3.97 -0.29 1.61 1.01 0.14 -1.34 116.67 123.76 3kf5 s ASP 270 Ca 0.00 -1.15 -0.13 0.00 0.71 0.00 0.00 52.55 51.98 3kf5 s ASP 270 Cb 0.00 -0.43 0.11 0.00 1.01 0.00 0.00 42.92 43.61 3kf5 s ASP 270 CO 0.00 -0.29 0.70 0.12 0.21 0.00 0.00 175.17 175.91 3kf5 s PHE 271 N -2.60 -1.16 -2.23 4.23 5.36 -1.26 -1.39 117.98 118.93 3kf5 s PHE 271 Ca 0.34 2.14 0.20 0.00 -0.96 0.00 0.00 56.93 58.66 3kf5 s PHE 271 Cb 0.03 0.70 0.09 0.00 -0.34 0.00 0.00 43.02 43.50 3kf5 s PHE 271 CO 0.18 -0.58 1.08 -0.40 -1.46 0.00 0.00 175.22 174.04 3kf5 n ASP 272 N 4.87 2.35 0.00 6.13 5.68 -1.25 -4.94 116.55 129.39 3kf5 n ASP 272 Ca -0.16 -1.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 3kf5 n ASP 272 Cb 0.54 0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.71 3kf5 n ASP 272 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kf5 n GLY 273 N 1.20 0.64 1.46 6.12 0.00 -1.26 -4.61 105.19 108.75 3kf5 n GLY 273 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3kf5 n GLY 273 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kf5 n PHE 274 N -1.25 -0.95 -4.61 1.61 3.01 -1.26 -4.93 117.46 109.08 3kf5 n PHE 274 Ca 0.00 0.17 -0.23 0.00 1.01 0.00 0.00 57.45 58.40 3kf5 n PHE 274 Cb 0.00 0.26 -0.14 0.00 -0.01 0.00 0.00 39.48 39.58 3kf5 n PHE 274 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3kf5 s GLN 275 N -2.00 1.18 -0.02 -1.08 0.00 -1.26 -3.66 119.66 112.82 3kf5 s GLN 275 Ca 0.00 -0.66 -0.25 0.00 -0.00 0.00 0.00 55.36 54.45 3kf5 s GLN 275 Cb 0.00 -1.17 -0.04 0.00 0.00 0.00 0.00 33.01 31.79 3kf5 s GLN 275 CO 0.00 0.31 0.76 0.12 0.00 0.00 0.00 175.29 176.48 3kf5 s PHE 276 N -0.56 3.65 -0.29 9.60 5.36 -1.26 -3.87 117.98 130.61 3kf5 s PHE 276 Ca 0.05 1.39 0.00 0.00 -0.96 0.00 0.00 56.93 57.41 3kf5 s PHE 276 Cb -0.07 -2.85 0.09 0.00 -0.34 0.00 0.00 43.02 39.85 3kf5 s PHE 276 CO 0.00 0.15 0.05 0.08 -1.46 0.00 0.00 175.22 174.04 3kf5 s VAL 277 N 0.50 1.24 0.49 3.12 1.01 -0.48 -4.99 120.40 121.29 3kf5 s VAL 277 Ca 0.40 -1.45 -0.21 0.00 0.00 0.00 0.00 61.98 60.71 3kf5 s VAL 277 Cb -0.19 -1.82 -0.07 0.00 0.00 0.00 0.00 36.38 34.30 3kf5 s VAL 277 CO 0.21 -0.49 1.12 -2.16 0.00 0.00 0.00 175.10 173.78 3kf5 s PRO 278 N 1.46 3.63 0.40 2.72 0.04 -1.26 -0.68 135.00 141.30 3kf5 s PRO 278 Ca 0.06 1.62 0.13 0.00 0.04 0.00 0.00 61.00 62.84 3kf5 s PRO 278 Cb -0.18 -2.20 0.82 0.00 0.04 0.00 0.00 34.50 32.98 3kf5 s PRO 278 CO -0.16 -0.62 1.90 -0.44 0.04 0.00 0.00 177.00 177.71 3kf5 h ASP 279 N 1.65 0.04 -3.03 6.66 3.32 -0.64 -3.46 116.42 120.96 3kf5 h ASP 279 Ca -0.50 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 56.37 3kf5 h ASP 279 Cb 1.25 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.74 3kf5 h ASP 279 CO 0.59 0.31 -0.16 -0.90 -1.72 0.00 0.00 179.24 177.36 3kf5 n ASP 280 N -4.20 -0.35 -2.21 6.45 3.85 -1.26 -5.07 116.55 113.75 3kf5 n ASP 280 Ca -0.02 -1.87 -0.21 0.00 -0.71 0.00 0.00 54.79 51.98 3kf5 n ASP 280 Cb 0.33 0.76 0.02 0.00 -1.35 0.00 0.00 41.12 40.88 3kf5 n ASP 280 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3kf5 n SER 281 N -2.35 4.39 -4.92 -1.12 3.41 -1.26 -4.94 113.62 106.83 3kf5 n SER 281 Ca 0.03 -3.51 -0.30 0.00 -0.26 0.00 0.00 58.87 54.83 3kf5 n SER 281 Cb 0.24 -0.38 -0.04 0.00 -0.26 0.00 0.00 64.21 63.77 3kf5 n SER 281 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kf5 s GLN 282 N -3.60 3.41 -0.19 4.33 -2.07 -1.26 -4.90 119.66 115.37 3kf5 s GLN 282 Ca 0.47 -0.49 -0.10 0.00 -1.82 0.00 0.00 55.36 53.42 3kf5 s GLN 282 Cb 0.40 -3.01 -0.05 0.00 -1.09 0.00 0.00 33.01 29.26 3kf5 s GLN 282 CO -0.01 0.59 0.14 0.99 -1.32 0.00 0.00 175.29 175.68 3kf5 s THR 283 N -1.55 5.41 -0.00 3.63 2.01 -1.26 -4.86 115.64 119.02 3kf5 s THR 283 Ca 0.35 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.56 3kf5 s THR 283 Cb -0.13 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 68.91 3kf5 s THR 283 CO 0.28 0.45 0.00 -0.13 -0.69 0.00 0.00 174.62 174.53 3kf5 s ARG 284 N 0.28 -0.00 0.04 4.92 0.52 -1.26 -5.07 118.95 118.38 3kf5 s ARG 284 Ca 0.09 0.01 -0.06 0.00 -0.52 0.00 0.00 55.73 55.25 3kf5 s ARG 284 Cb -0.11 -0.02 -0.05 0.00 0.52 0.00 0.00 34.95 35.29 3kf5 s ARG 284 CO -0.01 -0.01 0.30 -0.06 0.02 0.00 0.00 175.30 175.53 3kf5 s PHE 285 N 0.09 3.56 0.12 -0.53 0.40 -1.26 -1.52 117.98 118.84 3kf5 s PHE 285 Ca -0.01 0.58 -0.14 0.00 -0.60 0.00 0.00 56.93 56.76 3kf5 s PHE 285 Cb -0.01 -2.00 -0.03 0.00 0.51 0.00 0.00 43.02 41.48 3kf5 s PHE 285 CO -0.00 0.57 1.52 0.28 0.70 0.00 0.00 175.22 178.29 3kf5 h VAL 286 N 2.80 1.28 -3.26 -0.44 2.07 -1.19 -3.44 116.25 114.06 3kf5 h VAL 286 Ca -0.49 -1.23 -0.26 0.00 0.82 0.00 0.00 66.70 65.54 3kf5 h VAL 286 Cb 1.19 1.26 -0.33 0.00 -1.52 0.00 0.00 31.29 31.89 3kf5 h VAL 286 CO 0.68 0.41 -0.63 -0.62 0.02 0.00 0.00 177.57 177.43 3kf5 s ASP 287 N -6.41 0.11 -0.40 0.57 -1.08 -1.26 -4.42 116.67 103.77 3kf5 s ASP 287 Ca -0.12 0.26 0.06 0.00 -0.52 0.00 0.00 52.55 52.23 3kf5 s ASP 287 Cb 0.10 0.16 0.68 0.00 -1.46 0.00 0.00 42.92 42.40 3kf5 s ASP 287 CO 0.82 -0.17 1.86 2.30 0.52 0.00 0.00 175.17 180.50 3kf5 n ILE 288 N 4.44 3.09 -2.22 4.11 -5.35 -0.44 -4.71 119.36 118.28 3kf5 n ILE 288 Ca -0.22 -1.90 -0.27 0.00 -0.27 0.00 0.00 62.75 60.09 3kf5 n ILE 288 Cb 0.51 -0.43 0.13 0.00 -1.74 0.00 0.00 39.64 38.11 3kf5 n ILE 288 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3kf5 s GLY 289 N -1.32 1.75 0.31 3.28 0.00 -1.26 -4.86 107.32 105.23 3kf5 s GLY 289 Ca 0.56 -1.30 0.24 0.00 0.00 0.00 0.00 44.72 44.21 3kf5 s GLY 289 CO 0.11 -0.69 1.48 1.70 0.00 0.00 0.00 173.10 175.69 3kf5 h LYS 290 N -1.00 0.00 -1.74 2.90 1.63 -1.84 -3.42 116.57 113.10 3kf5 h LYS 290 Ca -0.42 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 58.83 3kf5 h LYS 290 Cb 1.27 0.00 -0.42 0.00 -0.60 0.00 0.00 32.23 32.48 3kf5 h LYS 290 CO 0.45 0.00 -0.81 -0.25 -3.45 0.00 0.00 179.45 175.39 3kf5 n ASP 291 N -2.75 3.86 -3.46 4.20 8.00 -0.80 -4.28 116.55 121.33 3kf5 n ASP 291 Ca 0.03 -3.51 -0.27 0.00 0.71 0.00 0.00 54.79 51.75 3kf5 n ASP 291 Cb 0.51 -0.52 -0.12 0.00 -0.02 0.00 0.00 41.12 40.97 3kf5 n ASP 291 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3kf5 s PHE 292 N -3.37 0.45 0.09 1.24 5.36 -1.26 -3.02 117.98 117.48 3kf5 s PHE 292 Ca 0.45 -1.31 0.02 0.00 -0.96 0.00 0.00 56.93 55.13 3kf5 s PHE 292 Cb 0.37 -0.82 -0.04 0.00 -0.34 0.00 0.00 43.02 42.19 3kf5 s PHE 292 CO -0.13 -0.85 -0.06 -0.47 -1.46 0.00 0.00 175.22 172.24 3kf5 s TYR 293 N 1.38 0.85 -1.38 10.12 5.04 -0.73 -3.57 117.35 129.06 3kf5 s TYR 293 Ca 0.16 -0.89 -0.09 0.00 -2.44 0.00 0.00 57.07 53.81 3kf5 s TYR 293 Cb -0.20 -0.50 0.02 0.00 0.35 0.00 0.00 41.96 41.63 3kf5 s TYR 293 CO -0.08 -0.16 1.16 0.00 -1.34 0.00 0.00 175.55 175.13 3kf5 n ALA 294 N 0.10 -1.30 -1.70 3.97 0.00 -1.26 -0.86 120.51 119.45 3kf5 n ALA 294 Ca -0.13 0.39 -0.44 0.00 0.00 0.00 0.00 53.44 53.26 3kf5 n ALA 294 Cb 0.60 -5.41 -0.03 0.00 0.00 0.00 0.00 19.45 14.61 3kf5 n ALA 294 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kf5 n PHE 295 N -4.98 2.54 -4.15 0.00 7.35 -1.26 -4.29 117.46 112.67 3kf5 n PHE 295 Ca 0.01 0.22 -0.14 0.00 -0.76 0.00 0.00 57.45 56.78 3kf5 n PHE 295 Cb 0.56 -2.58 -0.11 0.00 0.35 0.00 0.00 39.48 37.70 3kf5 n PHE 295 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 3kf5 s GLN 296 N 0.43 0.79 0.15 -4.13 0.74 -0.78 -4.86 119.66 111.99 3kf5 s GLN 296 Ca 0.72 -1.09 -0.02 0.00 0.05 0.00 0.00 55.36 55.02 3kf5 s GLN 296 Cb -0.58 -0.47 -0.05 0.00 1.10 0.00 0.00 33.01 33.02 3kf5 s GLN 296 CO 0.41 0.07 0.34 -0.08 -0.55 0.00 0.00 175.29 175.48 3kf5 s THR 297 N -2.32 5.24 0.22 -0.34 -1.32 -1.26 -2.13 115.64 113.73 3kf5 s THR 297 Ca 0.03 -0.26 -0.27 0.00 -1.21 0.00 0.00 61.69 59.98 3kf5 s THR 297 Cb -0.04 -3.68 -0.09 0.00 -1.51 0.00 0.00 72.50 67.19 3kf5 s THR 297 CO -0.00 -0.03 0.86 -0.36 -2.21 0.00 0.00 174.62 172.88 3kf5 s PHE 298 N -1.72 3.89 0.47 9.09 0.40 0.18 -4.60 117.98 125.69 3kf5 s PHE 298 Ca 0.38 1.76 -0.10 0.00 -0.60 0.00 0.00 56.93 58.37 3kf5 s PHE 298 Cb -0.12 -2.87 -0.05 0.00 0.51 0.00 0.00 43.02 40.49 3kf5 s PHE 298 CO 0.27 0.44 0.83 -1.12 0.70 0.00 0.00 175.22 176.34 3kf5 s SER 299 N -1.27 6.42 -1.72 1.36 0.01 -0.29 -4.40 113.70 113.81 3kf5 s SER 299 Ca 0.41 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.82 3kf5 s SER 299 Cb -0.23 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.66 3kf5 s SER 299 CO 0.28 -0.53 0.00 -0.62 0.41 0.00 0.00 173.24 172.77 3kf5 n GLU 300 N -1.81 -1.47 -2.90 12.44 -0.58 -1.26 -1.39 120.64 123.67 3kf5 n GLU 300 Ca 0.03 0.98 -0.42 0.00 -0.42 0.00 0.00 57.16 57.33 3kf5 n GLU 300 Cb 0.54 -5.48 -0.05 0.00 -0.57 0.00 0.00 31.44 25.89 3kf5 n GLU 300 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3kf5 s VAL 301 N -2.89 4.73 -0.02 2.62 1.01 -1.26 -4.71 120.40 119.89 3kf5 s VAL 301 Ca 0.00 1.19 -0.19 0.00 0.00 0.00 0.00 61.98 62.98 3kf5 s VAL 301 Cb 0.00 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 3kf5 s VAL 301 CO 0.00 -0.33 0.54 -1.83 0.00 0.00 0.00 175.10 173.48 3kf5 s GLU 302 N 3.10 4.26 0.00 2.72 -1.05 -1.26 -4.70 118.70 121.77 3kf5 s GLU 302 Ca 0.34 0.64 -0.00 0.00 -0.15 0.00 0.00 54.97 55.80 3kf5 s GLU 302 Cb -0.14 -3.33 0.00 0.00 -0.44 0.00 0.00 34.13 30.22 3kf5 s GLU 302 CO 0.14 0.40 0.00 -2.39 0.95 0.00 0.00 175.26 174.36 3kf5 n HIS 303 N 2.68 -0.79 0.00 4.83 1.44 -1.26 -5.02 115.22 117.10 3kf5 n HIS 303 Ca -0.08 0.47 0.00 0.00 -2.01 0.00 0.00 57.72 56.10 3kf5 n HIS 303 Cb 0.51 -1.46 0.00 0.00 0.12 0.00 0.00 29.99 29.16 3kf5 n HIS 303 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kf5 n GLY 304 N 2.00 2.22 3.19 -1.39 0.00 -1.26 -5.05 105.19 104.90 3kf5 n GLY 304 Ca -0.00 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.71 3kf5 n GLY 304 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kf5 s VAL 305 N -2.47 1.92 0.00 1.61 1.01 -1.26 -4.89 120.40 116.32 3kf5 s VAL 305 Ca 0.00 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.10 3kf5 s VAL 305 Cb 0.00 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 3kf5 s VAL 305 CO 0.00 0.53 -0.17 -0.76 0.00 0.00 0.00 175.10 174.69 3kf5 s LEU 306 N 0.42 2.07 0.10 3.92 1.02 -1.26 -0.53 118.68 124.43 3kf5 s LEU 306 Ca -0.17 -0.36 -0.26 0.00 0.02 0.00 0.00 54.13 53.36 3kf5 s LEU 306 Cb -0.17 -0.87 0.08 0.00 0.02 0.00 0.00 46.19 45.24 3kf5 s LEU 306 CO 0.07 0.18 0.83 -0.83 0.02 0.00 0.00 176.35 176.63 3kf5 s GLY 307 N -0.61 -0.39 0.24 -3.19 0.00 -0.98 0.50 107.32 102.89 3kf5 s GLY 307 Ca 0.06 0.52 -0.04 0.00 0.00 0.00 0.00 44.72 45.26 3kf5 s GLY 307 CO -0.00 0.16 0.28 0.48 0.00 0.00 0.00 173.10 174.02 3kf5 s LEU 308 N -2.71 0.95 0.23 0.66 0.05 -0.91 -0.87 118.68 116.08 3kf5 s LEU 308 Ca 0.07 -1.30 0.02 0.00 0.05 0.00 0.00 54.13 52.96 3kf5 s LEU 308 Cb -0.02 0.90 -0.05 0.00 -2.05 0.00 0.00 46.19 44.97 3kf5 s LEU 308 CO -0.05 -0.99 0.05 0.00 -0.55 0.00 0.00 176.35 174.81 3kf5 s ALA 309 N -3.95 1.60 -0.10 1.48 0.00 -1.26 -1.86 121.76 117.66 3kf5 s ALA 309 Ca 0.34 -1.76 -0.30 0.00 0.00 0.00 0.00 51.96 50.24 3kf5 s ALA 309 Cb 0.04 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 3kf5 s ALA 309 CO 0.13 -0.39 1.21 -0.46 0.00 0.00 0.00 175.76 176.25 3kf5 s TRP 310 N -3.69 3.09 -0.95 0.00 -0.00 -0.04 -0.51 118.94 116.83 3kf5 s TRP 310 Ca 0.32 1.17 -0.03 0.00 -0.00 0.00 0.00 56.10 57.56 3kf5 s TRP 310 Cb 0.07 -3.43 0.22 0.00 -0.00 0.00 0.00 33.47 30.33 3kf5 s TRP 310 CO 0.10 -1.36 2.21 0.00 -0.00 0.00 0.00 176.95 177.89 3kf5 n ALA 311 N 5.73 6.45 -3.49 5.86 0.00 -0.35 -1.77 120.51 132.94 3kf5 n ALA 311 Ca 0.12 -4.05 -0.11 0.00 0.00 0.00 0.00 53.44 49.40 3kf5 n ALA 311 Cb 0.46 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3kf5 n ALA 311 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kf5 s SER 312 N -0.49 0.35 -0.06 0.00 0.15 -1.17 -4.63 113.70 107.85 3kf5 s SER 312 Ca 0.50 -1.29 0.05 0.00 0.70 0.00 0.00 55.95 55.91 3kf5 s SER 312 Cb 0.28 0.79 -0.01 0.00 -1.71 0.00 0.00 66.02 65.38 3kf5 s SER 312 CO -0.20 -1.57 -0.21 0.21 1.20 0.00 0.00 173.24 172.66 3kf5 s ASN 313 N -3.14 2.65 0.67 5.45 3.84 -1.26 -4.01 114.94 119.15 3kf5 s ASN 313 Ca 0.21 -0.45 0.40 0.00 0.21 0.00 0.00 52.86 53.23 3kf5 s ASN 313 Cb -0.04 -0.82 2.18 0.00 -0.55 0.00 0.00 41.25 42.02 3kf5 s ASN 313 CO 0.15 0.19 2.23 -0.50 -2.79 0.00 0.00 177.10 176.37 3kf5 h TRP 314 N 6.27 0.00 0.00 0.43 -0.00 -1.91 -1.08 115.95 119.66 3kf5 h TRP 314 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.59 3kf5 h TRP 314 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.34 3kf5 h TRP 314 CO 0.44 0.00 -0.04 0.00 -0.00 0.00 0.00 178.44 178.84 3kf5 n GLN 315 N -3.02 0.18 0.00 0.49 10.64 -1.26 -4.25 117.38 120.16 3kf5 n GLN 315 Ca -0.03 0.14 0.00 0.00 -1.83 0.00 0.00 57.00 55.28 3kf5 n GLN 315 Cb 0.17 -1.70 0.00 0.00 -0.86 0.00 0.00 30.24 27.85 3kf5 n GLN 315 CO 0.00 0.00 0.00 2.48 -1.83 0.00 0.00 177.06 177.71 3kf5 n TYR 316 N -2.01 0.00 0.22 2.61 0.18 -0.94 -4.91 117.16 112.30 3kf5 n TYR 316 Ca 0.06 0.00 0.16 0.00 1.88 0.00 0.00 57.90 60.00 3kf5 n TYR 316 Cb 0.40 0.02 0.83 0.00 -0.38 0.00 0.00 39.34 40.21 3kf5 n TYR 316 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3kf5 h ALA 317 N 0.00 1.78 -0.61 -3.48 0.00 -1.39 -1.52 119.26 114.05 3kf5 h ALA 317 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kf5 h ALA 317 Cb 0.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3kf5 h ALA 317 CO 0.00 -0.23 0.00 -0.40 0.00 0.00 0.00 179.25 178.62 3kf5 n ASP 318 N -3.88 4.65 0.00 0.00 3.85 -1.26 -4.31 116.55 115.61 3kf5 n ASP 318 Ca 0.01 -2.48 0.00 0.00 -0.71 0.00 0.00 54.79 51.61 3kf5 n ASP 318 Cb 0.27 -0.56 0.00 0.00 -1.35 0.00 0.00 41.12 39.48 3kf5 n ASP 318 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3kf5 n GLN 319 N 0.97 3.40 -2.10 0.11 1.13 -0.58 -4.89 117.38 115.42 3kf5 n GLN 319 Ca 0.25 -0.11 -0.41 0.00 -1.94 0.00 0.00 57.00 54.79 3kf5 n GLN 319 Cb 0.88 -0.51 -0.02 0.00 0.11 0.00 0.00 30.24 30.69 3kf5 n GLN 319 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 3kf5 s VAL 320 N -0.52 2.84 -0.89 5.09 -7.23 -1.20 -4.52 120.40 113.97 3kf5 s VAL 320 Ca 0.00 0.73 -0.19 0.00 -1.81 0.00 0.00 61.98 60.72 3kf5 s VAL 320 Cb 0.00 -3.47 -0.12 0.00 0.56 0.00 0.00 36.38 33.36 3kf5 s VAL 320 CO 0.00 0.13 2.01 -0.81 -0.31 0.00 0.00 175.10 176.11 3kf5 n PRO 321 N 2.07 1.79 -4.66 4.82 -0.04 -1.26 -4.87 135.00 132.85 3kf5 n PRO 321 Ca 0.05 -1.90 -0.23 0.00 -0.04 0.00 0.00 63.50 61.38 3kf5 n PRO 321 Cb 0.41 -2.90 -0.15 0.00 -0.04 0.00 0.00 33.50 30.82 3kf5 n PRO 321 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3kf5 s THR 322 N 4.51 1.28 -0.10 0.52 -4.23 -1.26 -5.00 115.64 111.36 3kf5 s THR 322 Ca 0.54 -0.80 -0.16 0.00 -1.18 0.00 0.00 61.69 60.09 3kf5 s THR 322 Cb 0.14 -1.09 0.04 0.00 1.34 0.00 0.00 72.50 72.93 3kf5 s THR 322 CO 0.07 0.27 0.40 0.21 -0.54 0.00 0.00 174.62 175.03 3kf5 s ASN 323 N -0.61 -0.37 -0.30 3.99 2.47 -1.26 -4.33 114.94 114.53 3kf5 s ASN 323 Ca 0.05 0.56 0.02 0.00 0.42 0.00 0.00 52.86 53.92 3kf5 s ASN 323 Cb -0.07 0.63 0.41 0.00 -1.45 0.00 0.00 41.25 40.77 3kf5 s ASN 323 CO 0.00 -0.29 1.64 -0.81 -3.72 0.00 0.00 177.10 173.92 3kf5 n PRO 324 N 2.13 1.83 -4.24 0.43 -0.04 -1.26 -1.37 135.00 132.49 3kf5 n PRO 324 Ca -0.17 -1.94 -0.13 0.00 -0.04 0.00 0.00 63.50 61.22 3kf5 n PRO 324 Cb 0.57 -1.76 -0.10 0.00 -0.04 0.00 0.00 33.50 32.17 3kf5 n PRO 324 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3kf5 s TRP 325 N -2.14 1.19 0.01 0.54 -2.14 -1.26 -0.62 118.94 114.52 3kf5 s TRP 325 Ca 0.37 -0.84 0.02 0.00 2.66 0.00 0.00 56.10 58.30 3kf5 s TRP 325 Cb 0.31 -0.64 -0.01 0.00 -3.10 0.00 0.00 33.47 30.03 3kf5 s TRP 325 CO 0.06 -0.02 -0.05 1.03 -2.66 0.00 0.00 176.95 175.31 3kf5 s ARG 326 N -3.80 0.40 0.00 3.25 0.52 -0.69 -4.59 118.95 114.05 3kf5 s ARG 326 Ca 0.17 -0.30 0.00 0.00 -0.52 0.00 0.00 55.73 55.09 3kf5 s ARG 326 Cb 0.04 -0.34 0.00 0.00 0.52 0.00 0.00 34.95 35.17 3kf5 s ARG 326 CO 0.00 0.09 0.00 0.43 0.02 0.00 0.00 175.30 175.84 3kf5 n SER 327 N 2.63 -0.60 -4.43 0.23 7.64 -1.26 -2.83 113.62 115.00 3kf5 n SER 327 Ca -0.15 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.52 3kf5 n SER 327 Cb 0.58 0.54 -0.10 0.00 -1.01 0.00 0.00 64.21 64.21 3kf5 n SER 327 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3kf5 s SER 328 N -1.03 2.61 0.60 6.43 1.04 -1.26 -4.53 113.70 117.57 3kf5 s SER 328 Ca 0.00 -1.24 -0.06 0.00 0.48 0.00 0.00 55.95 55.13 3kf5 s SER 328 Cb 0.00 -0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.00 3kf5 s SER 328 CO 0.00 -0.42 0.92 0.28 0.98 0.00 0.00 173.24 174.99 3kf5 s THR 329 N -3.11 3.47 0.79 2.02 -1.32 -0.67 -1.22 115.64 115.61 3kf5 s THR 329 Ca 0.31 -0.03 -0.09 0.00 -1.21 0.00 0.00 61.69 60.66 3kf5 s THR 329 Cb 0.05 -3.39 0.11 0.00 -1.51 0.00 0.00 72.50 67.76 3kf5 s THR 329 CO 0.12 -0.40 1.12 -0.94 -2.21 0.00 0.00 174.62 172.31 3kf5 s SER 330 N -4.33 4.22 0.79 8.08 1.04 0.33 -4.42 113.70 119.41 3kf5 s SER 330 Ca 0.55 0.32 -0.13 0.00 0.48 0.00 0.00 55.95 57.17 3kf5 s SER 330 Cb -0.11 -0.74 0.07 0.00 0.10 0.00 0.00 66.02 65.35 3kf5 s SER 330 CO 0.45 -2.00 1.16 -0.76 0.98 0.00 0.00 173.24 173.06 3kf5 s LEU 331 N -5.46 3.11 0.43 2.42 1.43 -1.26 -4.70 118.68 114.66 3kf5 s LEU 331 Ca 0.65 2.17 -0.23 0.00 -1.03 0.00 0.00 54.13 55.69 3kf5 s LEU 331 Cb -0.08 -4.57 -0.08 0.00 0.03 0.00 0.00 46.19 41.49 3kf5 s LEU 331 CO 0.48 -2.45 1.08 0.00 0.23 0.00 0.00 176.35 175.69 3kf5 s ALA 332 N -2.41 3.02 0.02 4.21 0.00 -1.26 -4.64 121.76 120.71 3kf5 s ALA 332 Ca 0.69 0.75 0.05 0.00 0.00 0.00 0.00 51.96 53.44 3kf5 s ALA 332 Cb -0.24 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 3kf5 s ALA 332 CO 0.51 -0.35 -0.14 1.03 0.00 0.00 0.00 175.76 176.81 3kf5 s ARG 333 N -2.66 1.01 -0.19 0.00 0.52 -0.05 -1.50 118.95 116.08 3kf5 s ARG 333 Ca 0.61 -0.68 -0.18 0.00 -0.52 0.00 0.00 55.73 54.96 3kf5 s ARG 333 Cb -0.23 -1.01 -0.03 0.00 0.52 0.00 0.00 34.95 34.20 3kf5 s ARG 333 CO 0.28 0.26 0.51 1.21 0.02 0.00 0.00 175.30 177.58 3kf5 s ASN 334 N -0.87 6.57 -0.23 0.23 3.84 0.47 -2.33 114.94 122.62 3kf5 s ASN 334 Ca 0.03 0.69 -0.05 0.00 0.21 0.00 0.00 52.86 53.73 3kf5 s ASN 334 Cb -0.07 -2.29 -0.02 0.00 -0.55 0.00 0.00 41.25 38.32 3kf5 s ASN 334 CO 0.01 -0.15 0.00 -0.31 -2.79 0.00 0.00 177.10 173.86 3kf5 s TYR 335 N 1.50 3.01 0.28 0.43 1.51 0.31 -1.95 117.35 122.44 3kf5 s TYR 335 Ca 0.24 -0.70 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 3kf5 s TYR 335 Cb -0.15 -2.15 -0.06 0.00 -0.11 0.00 0.00 41.96 39.49 3kf5 s TYR 335 CO 0.10 -0.45 0.08 0.95 -1.11 0.00 0.00 175.55 175.11 3kf5 s THR 336 N 1.49 0.80 -0.08 -0.71 -4.23 -0.18 -4.09 115.64 108.64 3kf5 s THR 336 Ca 0.06 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.58 3kf5 s THR 336 Cb -0.15 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.01 3kf5 s THR 336 CO -0.00 -0.03 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.18 3kf5 s LEU 337 N -3.37 2.94 -0.05 4.79 1.43 -0.16 0.56 118.68 124.82 3kf5 s LEU 337 Ca 0.37 -0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 53.28 3kf5 s LEU 337 Cb 0.08 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.68 3kf5 s LEU 337 CO 0.14 0.31 0.13 -0.60 0.23 0.00 0.00 176.35 176.55 3kf5 s ARG 338 N -0.51 0.13 -0.26 1.70 3.52 -0.11 -0.90 118.95 122.54 3kf5 s ARG 338 Ca 0.07 0.20 -0.29 0.00 -0.13 0.00 0.00 55.73 55.58 3kf5 s ARG 338 Cb -0.12 0.03 -0.01 0.00 -1.56 0.00 0.00 34.95 33.29 3kf5 s ARG 338 CO 0.02 -0.04 1.38 0.71 -0.81 0.00 0.00 175.30 176.55 3kf5 s TYR 339 N 0.26 2.56 0.04 5.12 1.51 -1.26 -0.22 117.35 125.35 3kf5 s TYR 339 Ca -0.02 0.80 0.03 0.00 -1.01 0.00 0.00 57.07 56.87 3kf5 s TYR 339 Cb -0.03 -3.87 -0.02 0.00 -0.11 0.00 0.00 41.96 37.93 3kf5 s TYR 339 CO -0.01 -2.05 -0.10 0.54 -1.11 0.00 0.00 175.55 172.82 3kf5 s VAL 340 N 4.44 0.75 -0.24 0.71 0.11 -0.87 -4.84 120.40 120.46 3kf5 s VAL 340 Ca 0.60 -0.99 -0.29 0.00 -2.93 0.00 0.00 61.98 58.37 3kf5 s VAL 340 Cb -0.20 -0.74 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 3kf5 s VAL 340 CO 0.23 -0.20 1.79 -1.00 -3.33 0.00 0.00 175.10 172.59 3kf5 s HIS 341 N -1.08 1.81 -0.05 1.54 3.76 -1.26 -0.43 115.29 119.58 3kf5 s HIS 341 Ca -0.04 0.50 0.13 0.00 -0.15 0.00 0.00 55.06 55.49 3kf5 s HIS 341 Cb -0.08 -4.05 -0.15 0.00 1.11 0.00 0.00 32.58 29.40 3kf5 s HIS 341 CO 0.01 -3.29 0.96 1.15 -0.85 0.00 0.00 174.74 172.72 3kf5 h THR 342 N 6.49 0.93 -4.21 1.30 2.02 -1.88 -3.45 112.91 114.10 3kf5 h THR 342 Ca -0.36 -2.57 -0.51 0.00 0.77 0.00 0.00 66.41 63.74 3kf5 h THR 342 Cb 1.18 2.39 -0.13 0.00 -1.74 0.00 0.00 68.15 69.85 3kf5 h THR 342 CO 1.00 0.53 -0.49 0.54 0.37 0.00 0.00 175.52 177.47 3kf5 s ASN 343 N -6.18 2.09 0.55 4.18 2.20 -1.26 -4.88 114.94 111.64 3kf5 s ASN 343 Ca -0.02 -1.76 0.25 0.00 -0.94 0.00 0.00 52.86 50.39 3kf5 s ASN 343 Cb 0.09 0.58 1.44 0.00 -2.00 0.00 0.00 41.25 41.35 3kf5 s ASN 343 CO 0.81 -1.05 2.03 0.00 -2.94 0.00 0.00 177.10 175.95 3kf5 h ALA 344 N 2.00 2.27 0.00 3.54 0.00 -2.00 -3.07 119.26 122.00 3kf5 h ALA 344 Ca -0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3kf5 h ALA 344 Cb 1.25 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3kf5 h ALA 344 CO 0.41 -0.51 -1.95 -1.91 0.00 0.00 0.00 179.25 175.30 3kf5 n GLU 345 N -4.22 0.63 -0.02 0.00 0.00 -1.26 -4.96 120.64 110.81 3kf5 n GLU 345 Ca 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 57.16 57.03 3kf5 n GLU 345 Cb 0.49 -1.48 -0.01 0.00 0.00 0.00 0.00 31.44 30.44 3kf5 n GLU 345 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 3kf5 n THR 346 N -2.23 0.45 -0.15 6.31 -1.04 -1.16 -5.10 114.28 111.36 3kf5 n THR 346 Ca -0.05 0.32 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 3kf5 n THR 346 Cb 0.56 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 3kf5 n THR 346 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3kf5 n LYS 347 N -3.04 -0.43 -3.77 -2.82 5.02 -1.24 -4.93 118.16 106.95 3kf5 n LYS 347 Ca -0.03 0.31 -0.13 0.00 -2.02 0.00 0.00 58.31 56.44 3kf5 n LYS 347 Cb 0.12 -0.34 -0.12 0.00 -0.02 0.00 0.00 35.03 34.67 3kf5 n LYS 347 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3kf5 s GLN 348 N -4.29 0.22 -0.39 1.97 -1.52 0.43 -4.85 119.66 111.23 3kf5 s GLN 348 Ca 0.00 0.38 -0.27 0.00 -1.95 0.00 0.00 55.36 53.51 3kf5 s GLN 348 Cb 0.00 0.02 -0.04 0.00 -0.22 0.00 0.00 33.01 32.77 3kf5 s GLN 348 CO 0.00 -0.08 2.12 -1.17 -0.25 0.00 0.00 175.29 175.91 3kf5 s LEU 349 N 0.56 3.42 0.03 2.90 0.20 -1.26 -2.05 118.68 122.48 3kf5 s LEU 349 Ca -0.04 1.24 0.06 0.00 0.69 0.00 0.00 54.13 56.09 3kf5 s LEU 349 Cb -0.05 -3.04 -0.03 0.00 -0.43 0.00 0.00 46.19 42.64 3kf5 s LEU 349 CO -0.03 -2.26 -0.15 -0.89 -0.29 0.00 0.00 176.35 172.73 3kf5 s THR 350 N 9.33 3.01 -0.12 3.68 2.01 0.70 -4.87 115.64 129.37 3kf5 s THR 350 Ca 0.89 -1.08 -0.29 0.00 0.31 0.00 0.00 61.69 61.52 3kf5 s THR 350 Cb -0.22 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 3kf5 s THR 350 CO 0.29 0.35 1.41 -0.22 -0.69 0.00 0.00 174.62 175.77 3kf5 s LEU 351 N -1.42 4.24 -0.10 4.42 2.96 -1.26 -0.93 118.68 126.58 3kf5 s LEU 351 Ca 0.15 1.90 -0.03 0.00 -0.22 0.00 0.00 54.13 55.94 3kf5 s LEU 351 Cb -0.11 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 3kf5 s LEU 351 CO 0.06 -0.81 0.02 -0.63 -1.32 0.00 0.00 176.35 173.66 3kf5 s ILE 352 N 3.62 4.48 -0.01 6.68 1.09 0.19 -4.77 121.20 132.48 3kf5 s ILE 352 Ca 0.62 -0.18 0.02 0.00 -1.10 0.00 0.00 60.65 60.00 3kf5 s ILE 352 Cb -0.26 -2.90 -0.00 0.00 -1.06 0.00 0.00 42.46 38.23 3kf5 s ILE 352 CO 0.20 0.60 -0.06 0.00 -0.10 0.00 0.00 174.94 175.58 3kf5 s GLN 353 N -0.79 0.53 0.02 2.79 -2.07 -0.68 -1.01 119.66 118.45 3kf5 s GLN 353 Ca 0.12 -0.20 0.02 0.00 -1.82 0.00 0.00 55.36 53.48 3kf5 s GLN 353 Cb -0.12 -0.52 -0.02 0.00 -1.09 0.00 0.00 33.01 31.26 3kf5 s GLN 353 CO 0.02 0.11 -0.07 -0.80 -1.32 0.00 0.00 175.29 173.23 3kf5 s ASN 354 N -0.01 0.75 0.54 12.60 0.01 -0.82 -4.34 114.94 123.66 3kf5 s ASN 354 Ca 0.01 -0.36 -0.18 0.00 -0.71 0.00 0.00 52.86 51.61 3kf5 s ASN 354 Cb -0.04 -0.01 -0.06 0.00 0.41 0.00 0.00 41.25 41.56 3kf5 s ASN 354 CO -0.00 -0.10 1.05 -2.16 -1.51 0.00 0.00 177.10 174.39 3kf5 s PRO 355 N -0.98 3.53 0.00 -0.60 0.04 -1.26 -0.40 135.00 135.32 3kf5 s PRO 355 Ca -0.05 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.29 3kf5 s PRO 355 Cb -0.07 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3kf5 s PRO 355 CO 0.00 -0.65 0.14 0.28 0.04 0.00 0.00 177.00 176.81 3kf5 n VAL 356 N -1.51 0.00 -2.45 -0.36 0.31 -0.56 -4.80 118.33 108.96 3kf5 n VAL 356 Ca 0.09 0.31 -0.02 0.00 -0.01 0.00 0.00 64.34 64.71 3kf5 n VAL 356 Cb 0.53 -0.65 -0.02 0.00 -0.91 0.00 0.00 33.84 32.79 3kf5 n VAL 356 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3kf5 n LEU 357 N -0.43 -5.64 -0.01 7.52 4.77 -1.26 -4.81 117.00 117.15 3kf5 n LEU 357 Ca 0.00 2.38 0.23 0.00 -0.03 0.00 0.00 56.01 58.59 3kf5 n LEU 357 Cb 0.00 -2.97 0.71 0.00 -2.33 0.00 0.00 43.42 38.83 3kf5 n LEU 357 CO 0.00 -3.16 1.21 -0.65 -1.33 0.00 0.00 177.39 173.46 3kf5 h PRO 358 N 4.29 0.00 -5.67 3.23 0.11 -1.97 -3.48 132.00 128.51 3kf5 h PRO 358 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3kf5 h PRO 358 Cb 0.42 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.48 3kf5 h PRO 358 CO 0.00 0.00 -0.82 -3.47 -0.21 0.00 0.00 178.00 173.50 3kf5 n ASP 359 N -3.81 -5.06 0.00 -2.05 2.03 -1.26 -4.78 116.55 101.63 3kf5 n ASP 359 Ca 0.12 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.50 3kf5 n ASP 359 Cb 0.80 -3.29 0.00 0.00 -0.72 0.00 0.00 41.12 37.91 3kf5 n ASP 359 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3kf5 n SER 360 N 1.85 0.00 -4.86 1.67 3.41 -1.26 -5.13 113.62 109.30 3kf5 n SER 360 Ca -0.15 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.15 3kf5 n SER 360 Cb 0.30 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.20 3kf5 n SER 360 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3kf5 s ILE 361 N -1.78 4.76 -0.02 -1.33 -5.25 -1.26 -5.04 121.20 111.27 3kf5 s ILE 361 Ca 0.00 0.77 -0.30 0.00 -0.99 0.00 0.00 60.65 60.13 3kf5 s ILE 361 Cb 0.00 -3.63 -0.06 0.00 2.95 0.00 0.00 42.46 41.72 3kf5 s ILE 361 CO 0.00 -0.22 1.56 0.20 -1.79 0.00 0.00 174.94 174.69 3kf5 s ASN 362 N -2.47 6.72 -0.49 4.36 0.02 -1.16 -4.94 114.94 116.97 3kf5 s ASN 362 Ca 0.52 2.23 -0.15 0.00 -1.02 0.00 0.00 52.86 54.44 3kf5 s ASN 362 Cb -0.10 -2.55 0.10 0.00 0.02 0.00 0.00 41.25 38.72 3kf5 s ASN 362 CO 0.21 -0.85 0.42 -0.69 0.02 0.00 0.00 177.10 176.21 3kf5 s VAL 363 N 3.23 5.07 0.03 1.60 1.01 -1.26 -1.08 120.40 128.99 3kf5 s VAL 363 Ca 0.70 -1.31 -0.16 0.00 0.00 0.00 0.00 61.98 61.21 3kf5 s VAL 363 Cb -0.34 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 31.82 3kf5 s VAL 363 CO 0.28 -0.70 1.24 0.58 0.00 0.00 0.00 175.10 176.51 3kf5 h VAL 364 N 5.86 0.00 -3.43 2.92 2.07 -0.59 -3.47 116.25 119.61 3kf5 h VAL 364 Ca -0.28 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 3kf5 h VAL 364 Cb 1.10 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3kf5 h VAL 364 CO 0.93 0.00 0.10 1.51 0.02 0.00 0.00 177.57 180.13 3kf5 s ASP 365 N -2.93 0.39 0.21 0.57 -4.77 -1.24 -5.03 116.67 103.87 3kf5 s ASP 365 Ca -0.08 -1.30 0.04 0.00 -3.30 0.00 0.00 52.55 47.91 3kf5 s ASP 365 Cb 0.01 0.79 -0.02 0.00 -1.09 0.00 0.00 42.92 42.61 3kf5 s ASP 365 CO 0.26 -1.56 0.19 2.29 0.70 0.00 0.00 175.17 177.05 3kf5 n LYS 366 N -0.55 0.28 -3.56 2.11 2.85 -1.26 -1.39 118.16 116.63 3kf5 n LYS 366 Ca -0.05 -2.10 -0.13 0.00 -1.05 0.00 0.00 58.31 54.98 3kf5 n LYS 366 Cb 0.60 1.75 -0.11 0.00 -0.65 0.00 0.00 35.03 36.62 3kf5 n LYS 366 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3kf5 s LEU 367 N 0.00 -0.40 -0.02 -5.58 0.20 0.48 -4.98 118.68 108.38 3kf5 s LEU 367 Ca 0.25 0.42 0.05 0.00 0.69 0.00 0.00 54.13 55.54 3kf5 s LEU 367 Cb 0.01 0.84 -0.03 0.00 -0.43 0.00 0.00 46.19 46.59 3kf5 s LEU 367 CO 0.18 -0.27 -0.16 -0.54 -0.29 0.00 0.00 176.35 175.27 3kf5 s LYS 368 N 2.46 2.37 0.06 1.98 1.02 -1.26 -1.18 119.74 125.20 3kf5 s LYS 368 Ca 0.04 -0.78 -0.09 0.00 0.02 0.00 0.00 55.97 55.16 3kf5 s LYS 368 Cb -0.13 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 3kf5 s LYS 368 CO -0.12 0.60 0.19 0.15 -0.92 0.00 0.00 175.35 175.26 3kf5 s LYS 369 N -0.91 0.77 0.10 1.68 1.02 -0.68 -5.00 119.74 116.71 3kf5 s LYS 369 Ca 0.12 -0.79 0.08 0.00 0.02 0.00 0.00 55.97 55.40 3kf5 s LYS 369 Cb -0.11 0.31 -0.03 0.00 -0.52 0.00 0.00 37.83 37.48 3kf5 s LYS 369 CO 0.02 -0.23 -0.20 0.15 -0.92 0.00 0.00 175.35 174.17 3kf5 s LYS 370 N -3.21 1.09 0.00 1.68 1.02 -1.26 -2.00 119.74 117.06 3kf5 s LYS 370 Ca -0.00 -1.15 0.00 0.00 0.02 0.00 0.00 55.97 54.84 3kf5 s LYS 370 Cb 0.02 -1.30 0.00 0.00 -0.52 0.00 0.00 37.83 36.03 3kf5 s LYS 370 CO -0.07 0.30 0.00 0.27 -0.92 0.00 0.00 175.35 174.92 3kf5 n ASN 371 N 1.06 0.00 -4.68 2.83 2.04 0.30 -4.85 115.26 111.96 3kf5 n ASN 371 Ca -0.19 0.00 -0.40 0.00 -0.44 0.00 0.00 54.58 53.54 3kf5 n ASN 371 Cb 0.54 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.74 3kf5 n ASN 371 CO 0.00 0.00 0.00 0.68 -0.44 0.00 0.00 177.26 177.50 3kf5 s VAL 372 N -2.08 4.99 -0.57 3.53 -7.23 -0.35 -4.86 120.40 113.83 3kf5 s VAL 372 Ca 0.00 1.40 -0.21 0.00 -1.81 0.00 0.00 61.98 61.36 3kf5 s VAL 372 Cb 0.00 -4.03 0.07 0.00 0.56 0.00 0.00 36.38 32.98 3kf5 s VAL 372 CO 0.00 0.14 0.78 -0.54 -0.31 0.00 0.00 175.10 175.17 3kf5 s LYS 373 N 1.55 3.13 0.01 4.82 1.02 -1.26 -0.83 119.74 128.18 3kf5 s LYS 373 Ca 0.35 -0.89 -0.30 0.00 0.02 0.00 0.00 55.97 55.14 3kf5 s LYS 373 Cb -0.17 -4.17 -0.04 0.00 -0.52 0.00 0.00 37.83 32.94 3kf5 s LYS 373 CO 0.14 -1.50 1.06 -1.17 -0.92 0.00 0.00 175.35 172.96 3kf5 s LEU 374 N 3.21 4.36 0.20 3.17 2.96 -0.67 -4.84 118.68 127.07 3kf5 s LEU 374 Ca 0.18 1.77 0.01 0.00 -0.22 0.00 0.00 54.13 55.88 3kf5 s LEU 374 Cb -0.19 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.88 3kf5 s LEU 374 CO 0.11 -0.35 0.04 0.42 -1.32 0.00 0.00 176.35 175.26 3kf5 s THR 375 N 1.11 0.60 0.18 3.68 -4.23 -1.25 -4.20 115.64 111.53 3kf5 s THR 375 Ca 0.54 -1.99 0.32 0.00 -1.18 0.00 0.00 61.69 59.39 3kf5 s THR 375 Cb -0.24 -2.32 0.33 0.00 1.34 0.00 0.00 72.50 71.61 3kf5 s THR 375 CO 0.28 -0.29 1.99 -1.13 -0.54 0.00 0.00 174.62 174.93 3kf5 h ASN 376 N 2.58 0.00 0.26 3.99 -1.24 -1.42 -3.04 115.58 116.71 3kf5 h ASN 376 Ca -0.37 0.00 -0.34 0.00 0.71 0.00 0.00 56.30 56.30 3kf5 h ASN 376 Cb 1.22 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.25 3kf5 h ASN 376 CO 0.62 0.00 -1.87 0.11 -1.29 0.00 0.00 177.43 175.00 3kf5 h LYS 377 N 0.00 0.20 -3.38 6.67 1.57 -1.87 -3.42 116.57 116.34 3kf5 h LYS 377 Ca 0.00 -0.34 -0.63 0.00 -1.87 0.00 0.00 60.65 57.81 3kf5 h LYS 377 Cb 0.04 0.13 -0.40 0.00 0.08 0.00 0.00 32.23 32.07 3kf5 h LYS 377 CO 0.00 1.02 -0.69 -1.59 -0.57 0.00 0.00 179.45 177.62 3kf5 s LYS 378 N -2.58 1.58 0.77 3.15 0.00 -1.15 -5.11 119.74 116.41 3kf5 s LYS 378 Ca -0.16 -2.21 -0.11 0.00 0.00 0.00 0.00 55.97 53.49 3kf5 s LYS 378 Cb 0.07 -2.84 0.05 0.00 0.00 0.00 0.00 37.83 35.11 3kf5 s LYS 378 CO 0.80 -1.10 1.08 -2.14 0.00 0.00 0.00 175.35 173.99 3kf5 s PRO 379 N 0.21 2.28 -0.25 1.78 0.02 -1.24 -3.94 135.00 133.86 3kf5 s PRO 379 Ca 0.16 0.82 -0.14 0.00 0.02 0.00 0.00 61.00 61.86 3kf5 s PRO 379 Cb -0.24 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 3kf5 s PRO 379 CO -0.02 -1.53 0.31 0.42 -0.33 0.00 0.00 177.00 175.85 3kf5 s ILE 380 N -3.07 5.24 -0.06 2.83 -1.09 -0.47 -4.94 121.20 119.65 3kf5 s ILE 380 Ca 0.60 0.46 0.03 0.00 -2.23 0.00 0.00 60.65 59.51 3kf5 s ILE 380 Cb -0.15 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.10 3kf5 s ILE 380 CO 0.55 0.24 -0.14 -0.54 -1.23 0.00 0.00 174.94 173.81 3kf5 s LYS 381 N 1.61 1.76 0.33 2.79 1.02 -1.26 -0.16 119.74 125.83 3kf5 s LYS 381 Ca 0.13 -0.49 -0.29 0.00 0.02 0.00 0.00 55.97 55.35 3kf5 s LYS 381 Cb -0.15 -1.47 -0.10 0.00 -0.52 0.00 0.00 37.83 35.59 3kf5 s LYS 381 CO 0.08 0.10 1.33 0.99 -0.92 0.00 0.00 175.35 176.93 3kf5 s THR 382 N 0.44 2.68 -0.41 2.17 2.01 -0.51 -5.00 115.64 117.03 3kf5 s THR 382 Ca -0.11 0.68 0.09 0.00 0.31 0.00 0.00 61.69 62.66 3kf5 s THR 382 Cb -0.14 -3.43 0.28 0.00 0.01 0.00 0.00 72.50 69.22 3kf5 s THR 382 CO 0.03 0.16 0.61 -3.20 -0.69 0.00 0.00 174.62 171.53 3kf5 n ASN 383 N 0.92 0.71 -0.04 3.53 5.15 -1.26 -4.77 115.26 119.50 3kf5 n ASN 383 Ca 0.01 -2.86 -0.11 0.00 -0.60 0.00 0.00 54.58 51.02 3kf5 n ASN 383 Cb 0.42 -0.63 -0.14 0.00 -0.53 0.00 0.00 39.78 38.89 3kf5 n ASN 383 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3kf5 n PHE 384 N 1.00 0.82 -1.72 1.20 3.72 -1.26 -5.08 117.46 116.14 3kf5 n PHE 384 Ca 0.23 0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.90 3kf5 n PHE 384 Cb 0.56 -1.14 0.00 0.00 -0.94 0.00 0.00 39.48 37.95 3kf5 n PHE 384 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3kf5 n LYS 385 N -3.05 -3.03 -0.47 -1.08 4.81 -1.26 -4.99 118.16 109.09 3kf5 n LYS 385 Ca -0.23 2.40 0.03 0.00 -0.87 0.00 0.00 58.31 59.64 3kf5 n LYS 385 Cb 1.07 -2.87 -0.02 0.00 0.02 0.00 0.00 35.03 33.24 3kf5 n LYS 385 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kf5 n GLY 386 N 1.06 -3.03 3.01 3.14 0.00 -1.26 -5.03 105.19 103.09 3kf5 n GLY 386 Ca 0.00 -1.24 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 3kf5 n GLY 386 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kf5 s SER 387 N -4.38 0.36 0.34 1.61 0.15 -1.26 -5.05 113.70 105.47 3kf5 s SER 387 Ca 0.00 0.56 -0.27 0.00 0.70 0.00 0.00 55.95 56.95 3kf5 s SER 387 Cb 0.00 0.76 -0.09 0.00 -1.71 0.00 0.00 66.02 64.97 3kf5 s SER 387 CO 0.00 -0.25 1.10 -0.89 1.20 0.00 0.00 173.24 174.40 3kf5 s THR 388 N 2.44 3.50 0.65 6.45 2.01 -1.26 -4.94 115.64 124.48 3kf5 s THR 388 Ca 0.02 1.34 0.31 0.00 0.31 0.00 0.00 61.69 63.67 3kf5 s THR 388 Cb -0.12 -3.78 0.33 0.00 0.01 0.00 0.00 72.50 68.94 3kf5 s THR 388 CO -0.09 0.19 1.99 1.23 -0.69 0.00 0.00 174.62 177.25 3kf5 h GLY 389 N 3.16 0.00 -6.00 4.40 0.00 -1.84 -3.43 103.07 99.36 3kf5 h GLY 389 Ca -0.48 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.25 3kf5 h GLY 389 CO 0.65 0.00 -0.41 -2.27 0.00 0.00 0.00 176.54 174.51 3kf5 s LEU 390 N -6.19 4.26 0.05 3.11 2.96 -1.22 -4.49 118.68 117.16 3kf5 s LEU 390 Ca -0.04 0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 54.24 3kf5 s LEU 390 Cb 0.11 -2.22 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 3kf5 s LEU 390 CO 0.35 0.18 0.03 -0.36 -1.32 0.00 0.00 176.35 175.23 3kf5 s PHE 391 N 0.18 0.39 0.06 5.38 0.40 -0.36 -1.87 117.98 122.16 3kf5 s PHE 391 Ca 0.13 -0.86 0.01 0.00 -0.60 0.00 0.00 56.93 55.62 3kf5 s PHE 391 Cb -0.12 -0.28 -0.03 0.00 0.51 0.00 0.00 43.02 43.10 3kf5 s PHE 391 CO 0.02 -0.39 -0.06 0.16 0.70 0.00 0.00 175.22 175.65 3kf5 s ASP 392 N -2.66 0.79 -0.01 1.36 1.47 -0.35 -0.79 116.67 116.48 3kf5 s ASP 392 Ca 0.03 -0.75 0.00 0.00 1.18 0.00 0.00 52.55 53.01 3kf5 s ASP 392 Cb 0.04 0.09 0.01 0.00 -0.34 0.00 0.00 42.92 42.73 3kf5 s ASP 392 CO -0.09 -0.36 0.00 0.72 0.68 0.00 0.00 175.17 176.12 3kf5 s PHE 393 N -2.49 0.15 -0.13 2.11 -0.12 -0.26 -0.52 117.98 116.72 3kf5 s PHE 393 Ca -0.02 0.02 -0.01 0.00 -0.05 0.00 0.00 56.93 56.87 3kf5 s PHE 393 Cb -0.02 -0.20 0.04 0.00 -0.63 0.00 0.00 43.02 42.20 3kf5 s PHE 393 CO -0.03 -0.06 -0.01 1.21 -0.05 0.00 0.00 175.22 176.28 3kf5 s ASN 394 N 0.53 2.26 -0.04 1.98 3.84 -0.03 -0.98 114.94 122.50 3kf5 s ASN 394 Ca -0.05 -0.42 0.02 0.00 0.21 0.00 0.00 52.86 52.62 3kf5 s ASN 394 Cb -0.07 -0.62 0.01 0.00 -0.55 0.00 0.00 41.25 40.02 3kf5 s ASN 394 CO -0.01 -0.21 -0.07 -0.63 -2.79 0.00 0.00 177.10 173.38 3kf5 s ILE 395 N 1.85 0.67 -0.12 -5.21 1.01 0.80 -1.49 121.20 118.72 3kf5 s ILE 395 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.42 3kf5 s ILE 395 Cb -0.14 -0.64 -0.02 0.00 0.01 0.00 0.00 42.46 41.67 3kf5 s ILE 395 CO -0.07 0.24 -0.12 -0.89 0.00 0.00 0.00 174.94 174.10 3kf5 s THR 396 N 0.54 3.20 0.04 2.92 2.01 -0.86 -0.04 115.64 123.45 3kf5 s THR 396 Ca -0.08 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.31 3kf5 s THR 396 Cb -0.12 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 3kf5 s THR 396 CO 0.01 0.54 -0.05 0.72 -0.69 0.00 0.00 174.62 175.15 3kf5 s PHE 397 N 0.11 0.46 -0.08 4.92 -0.12 -0.22 -0.50 117.98 122.54 3kf5 s PHE 397 Ca -0.05 -0.63 -0.01 0.00 -0.05 0.00 0.00 56.93 56.18 3kf5 s PHE 397 Cb -0.15 -0.30 -0.03 0.00 -0.63 0.00 0.00 43.02 41.91 3kf5 s PHE 397 CO 0.04 -0.19 -0.01 0.15 -0.05 0.00 0.00 175.22 175.16 3kf5 s LYS 398 N -2.05 2.96 -0.44 1.99 1.02 0.41 -1.21 119.74 122.42 3kf5 s LYS 398 Ca -0.09 -0.44 -0.20 0.00 0.02 0.00 0.00 55.97 55.26 3kf5 s LYS 398 Cb -0.06 -2.76 0.03 0.00 -0.52 0.00 0.00 37.83 34.52 3kf5 s LYS 398 CO -0.02 0.68 0.60 0.08 -0.92 0.00 0.00 175.35 175.77 3kf5 s VAL 399 N -0.82 4.88 0.73 3.17 1.01 -0.62 -1.46 120.40 127.29 3kf5 s VAL 399 Ca 0.12 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 3kf5 s VAL 399 Cb -0.11 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.11 3kf5 s VAL 399 CO 0.02 -0.58 1.08 -0.76 0.00 0.00 0.00 175.10 174.86 3kf5 s LEU 400 N 2.67 2.85 -0.52 3.92 1.02 0.53 -4.59 118.68 124.56 3kf5 s LEU 400 Ca 0.20 1.30 -0.28 0.00 0.02 0.00 0.00 54.13 55.37 3kf5 s LEU 400 Cb -0.15 -4.06 0.02 0.00 0.02 0.00 0.00 46.19 42.02 3kf5 s LEU 400 CO 0.17 -1.56 1.29 0.20 0.02 0.00 0.00 176.35 176.48 3kf5 s ASN 401 N -4.08 6.37 -0.29 2.29 -0.87 -1.26 -4.94 114.94 112.17 3kf5 s ASN 401 Ca 0.59 0.40 -0.13 0.00 -1.57 0.00 0.00 52.86 52.14 3kf5 s ASN 401 Cb -0.13 -2.55 0.10 0.00 -0.02 0.00 0.00 41.25 38.66 3kf5 s ASN 401 CO 0.53 -1.49 0.67 -0.22 -2.57 0.00 0.00 177.10 174.03 3kf5 s LEU 402 N 5.27 -1.03 -0.05 0.60 2.96 -1.26 -5.06 118.68 120.11 3kf5 s LEU 402 Ca 0.51 1.54 -0.30 0.00 -0.22 0.00 0.00 54.13 55.66 3kf5 s LEU 402 Cb -0.10 2.34 -0.04 0.00 0.50 0.00 0.00 46.19 48.89 3kf5 s LEU 402 CO 0.28 -0.23 1.31 0.20 -1.32 0.00 0.00 176.35 176.60 3kf5 s ASN 403 N 2.19 6.93 0.00 3.68 0.02 -1.26 -5.02 114.94 121.49 3kf5 s ASN 403 Ca -0.08 1.94 0.01 0.00 -1.02 0.00 0.00 52.86 53.71 3kf5 s ASN 403 Cb -0.08 -2.55 -0.01 0.00 0.02 0.00 0.00 41.25 38.63 3kf5 s ASN 403 CO -0.19 -0.68 -0.03 -0.69 0.02 0.00 0.00 177.10 175.52 3kf5 s VAL 404 N 2.57 0.26 0.39 1.60 1.01 -1.26 -5.09 120.40 119.87 3kf5 s VAL 404 Ca 0.60 -0.28 -0.26 0.00 0.00 0.00 0.00 61.98 62.04 3kf5 s VAL 404 Cb -0.27 -0.25 -0.11 0.00 0.00 0.00 0.00 36.38 35.75 3kf5 s VAL 404 CO 0.23 -0.02 1.24 -1.54 0.00 0.00 0.00 175.10 175.01 3kf5 n SER 405 N 2.76 2.45 -0.33 3.32 3.41 -1.26 -4.85 113.62 119.13 3kf5 n SER 405 Ca -0.14 1.14 0.26 0.00 -0.26 0.00 0.00 58.87 59.87 3kf5 n SER 405 Cb 0.58 -1.47 0.50 0.00 -0.26 0.00 0.00 64.21 63.56 3kf5 n SER 405 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3kf5 h PRO 406 N 2.20 0.12 0.00 4.33 0.11 -2.04 -3.36 132.00 133.36 3kf5 h PRO 406 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kf5 h PRO 406 Cb 1.30 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3kf5 h PRO 406 CO 0.61 0.08 0.00 0.41 -0.21 0.00 0.00 178.00 178.88 3kf5 n GLY 407 N -1.30 1.16 6.97 -0.55 0.00 -1.26 -4.87 105.19 105.34 3kf5 n GLY 407 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3kf5 n GLY 407 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kf5 n LYS 408 N 0.00 0.00 0.00 1.61 4.01 -1.26 -4.29 118.16 118.23 3kf5 n LYS 408 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3kf5 n LYS 408 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 3kf5 n LYS 408 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 3kf5 n THR 409 N 0.00 0.00 -0.44 -0.18 5.66 -1.26 -4.94 114.28 113.11 3kf5 n THR 409 Ca 0.00 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.82 3kf5 n THR 409 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 3kf5 n THR 409 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3kf5 n HIS 410 N 0.00 0.44 0.00 1.09 -0.00 -1.26 -4.16 115.22 111.33 3kf5 n HIS 410 Ca 0.00 0.29 0.00 0.00 -0.00 0.00 0.00 57.72 58.01 3kf5 n HIS 410 Cb 0.00 -0.64 0.00 0.00 -0.00 0.00 0.00 29.99 29.35 3kf5 n HIS 410 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.34 178.31 3kf5 n PHE 411 N 1.49 0.00 -4.51 4.41 1.16 -1.26 -3.64 117.46 115.10 3kf5 n PHE 411 Ca 0.11 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.43 3kf5 n PHE 411 Cb -0.01 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 37.72 3kf5 n PHE 411 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3kf5 s ASP 412 N 0.00 2.72 -0.22 5.98 1.11 -0.76 -1.84 116.67 123.66 3kf5 s ASP 412 Ca 0.00 -0.62 -0.08 0.00 0.18 0.00 0.00 52.55 52.03 3kf5 s ASP 412 Cb 0.00 -0.20 -0.04 0.00 1.07 0.00 0.00 42.92 43.76 3kf5 s ASP 412 CO 0.00 0.14 0.08 0.27 1.18 0.00 0.00 175.17 176.84 3kf5 s ILE 413 N -0.96 4.65 -0.19 0.77 -5.25 0.23 -0.99 121.20 119.45 3kf5 s ILE 413 Ca 0.09 -0.07 -0.05 0.00 -0.99 0.00 0.00 60.65 59.63 3kf5 s ILE 413 Cb -0.10 -3.14 -0.02 0.00 2.95 0.00 0.00 42.46 42.15 3kf5 s ILE 413 CO 0.03 0.39 -0.01 -0.76 -1.79 0.00 0.00 174.94 172.80 3kf5 s LEU 414 N 0.99 3.21 -0.42 0.37 1.43 0.40 -1.06 118.68 123.60 3kf5 s LEU 414 Ca 0.04 -0.21 -0.13 0.00 -1.03 0.00 0.00 54.13 52.81 3kf5 s LEU 414 Cb -0.14 -1.80 0.05 0.00 0.03 0.00 0.00 46.19 44.33 3kf5 s LEU 414 CO 0.03 0.08 0.30 -0.63 0.23 0.00 0.00 176.35 176.36 3kf5 s ILE 415 N 0.90 4.81 0.07 -0.59 1.01 -0.64 -1.46 121.20 125.31 3kf5 s ILE 415 Ca 0.01 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 59.63 3kf5 s ILE 415 Cb -0.14 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 3kf5 s ILE 415 CO 0.02 -0.43 0.15 0.20 0.00 0.00 0.00 174.94 174.88 3kf5 s ASN 416 N 2.06 5.98 0.83 3.58 0.01 -0.57 -1.92 114.94 124.92 3kf5 s ASN 416 Ca 0.03 0.15 -0.08 0.00 -0.71 0.00 0.00 52.86 52.25 3kf5 s ASN 416 Cb -0.22 -1.74 0.15 0.00 0.41 0.00 0.00 41.25 39.85 3kf5 s ASN 416 CO 0.06 0.17 1.15 -0.94 -1.51 0.00 0.00 177.10 176.03 3kf5 s SER 417 N -2.44 3.83 0.87 -1.22 1.04 0.49 -0.26 113.70 116.01 3kf5 s SER 417 Ca 0.32 0.00 -0.13 0.00 0.48 0.00 0.00 55.95 56.62 3kf5 s SER 417 Cb -0.13 -0.25 0.05 0.00 0.10 0.00 0.00 66.02 65.80 3kf5 s SER 417 CO 0.25 -2.24 0.74 0.00 0.98 0.00 0.00 173.24 172.98 3kf5 n GLN 418 N -3.27 -0.10 -0.95 4.02 10.64 -1.21 -4.57 117.38 121.94 3kf5 n GLN 418 Ca 0.14 0.03 -0.20 0.00 -1.83 0.00 0.00 57.00 55.15 3kf5 n GLN 418 Cb 0.60 -2.08 0.11 0.00 -0.86 0.00 0.00 30.24 28.02 3kf5 n GLN 418 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3kf5 n GLU 419 N -2.32 2.00 -2.34 2.61 1.02 -1.26 -4.56 120.64 115.79 3kf5 n GLU 419 Ca 0.10 -2.25 -0.41 0.00 -0.02 0.00 0.00 57.16 54.58 3kf5 n GLU 419 Cb 0.52 -1.88 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 3kf5 n GLU 419 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kf5 s LEU 420 N -2.51 4.48 -0.16 -4.62 1.43 -1.25 -3.64 118.68 112.41 3kf5 s LEU 420 Ca 0.43 2.36 -0.00 0.00 -1.03 0.00 0.00 54.13 55.89 3kf5 s LEU 420 Cb 0.36 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.95 3kf5 s LEU 420 CO 0.06 -0.34 0.01 -3.20 0.23 0.00 0.00 176.35 173.11 3kf5 n ASN 421 N 1.71 -1.51 -2.89 2.29 5.15 -1.26 -3.94 115.26 114.80 3kf5 n ASN 421 Ca 0.02 -0.01 -0.18 0.00 -0.60 0.00 0.00 54.58 53.81 3kf5 n ASN 421 Cb 0.44 -0.90 -0.00 0.00 -0.53 0.00 0.00 39.78 38.79 3kf5 n ASN 421 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3kf5 n SER 422 N 1.60 -4.00 -3.68 1.20 3.41 -1.24 -4.96 113.62 105.95 3kf5 n SER 422 Ca -0.02 -0.10 -0.12 0.00 -0.26 0.00 0.00 58.87 58.38 3kf5 n SER 422 Cb 0.52 -3.34 -0.06 0.00 -0.26 0.00 0.00 64.21 61.06 3kf5 n SER 422 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kf5 s SER 423 N -2.39 -0.22 -0.14 4.04 1.04 -1.25 -5.16 113.70 109.62 3kf5 s SER 423 Ca 0.20 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.47 3kf5 s SER 423 Cb -0.10 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.46 3kf5 s SER 423 CO 0.25 -0.72 -0.13 0.54 0.98 0.00 0.00 173.24 174.16 3kf5 s VAL 424 N -2.97 1.48 0.17 5.02 0.11 -1.26 -3.79 120.40 119.16 3kf5 s VAL 424 Ca -0.02 -0.58 -0.25 0.00 -2.93 0.00 0.00 61.98 58.20 3kf5 s VAL 424 Cb 0.00 -1.40 -0.08 0.00 -1.53 0.00 0.00 36.38 33.37 3kf5 s VAL 424 CO -0.06 0.44 0.79 -1.81 -3.33 0.00 0.00 175.10 171.13 3kf5 s ASP 425 N 1.50 7.40 -0.11 3.54 1.11 -1.26 -4.89 116.67 123.96 3kf5 s ASP 425 Ca 0.04 1.66 -0.17 0.00 0.18 0.00 0.00 52.55 54.27 3kf5 s ASP 425 Cb -0.13 -2.50 0.04 0.00 1.07 0.00 0.00 42.92 41.40 3kf5 s ASP 425 CO -0.10 0.20 0.43 -0.94 1.18 0.00 0.00 175.17 175.94 3kf5 s SER 426 N -1.17 -0.40 0.31 0.27 1.04 -1.26 -0.38 113.70 112.12 3kf5 s SER 426 Ca 0.36 0.63 0.07 0.00 0.48 0.00 0.00 55.95 57.50 3kf5 s SER 426 Cb -0.23 0.69 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 3kf5 s SER 426 CO 0.26 -0.29 0.26 0.27 0.98 0.00 0.00 173.24 174.72 3kf5 s ILE 427 N -0.38 3.76 -0.06 -1.02 -4.36 -0.81 -4.81 121.20 113.53 3kf5 s ILE 427 Ca -0.05 -1.40 0.02 0.00 -0.26 0.00 0.00 60.65 58.96 3kf5 s ILE 427 Cb -0.03 -3.23 0.02 0.00 1.25 0.00 0.00 42.46 40.46 3kf5 s ILE 427 CO 0.03 -0.22 -0.10 -0.75 0.24 0.00 0.00 174.94 174.14 3kf5 s LYS 428 N -3.95 1.40 -0.13 0.37 2.20 -0.98 -1.61 119.74 117.04 3kf5 s LYS 428 Ca 0.39 -0.31 -0.00 0.00 -0.36 0.00 0.00 55.97 55.68 3kf5 s LYS 428 Cb -0.06 -1.20 0.03 0.00 -1.51 0.00 0.00 37.83 35.08 3kf5 s LYS 428 CO 0.26 0.00 -0.08 0.42 -0.36 0.00 0.00 175.35 175.59 3kf5 s ILE 429 N 0.71 1.12 0.30 5.43 1.09 -0.22 -0.66 121.20 128.97 3kf5 s ILE 429 Ca -0.13 -0.39 0.05 0.00 -1.10 0.00 0.00 60.65 59.08 3kf5 s ILE 429 Cb -0.15 -1.14 -0.02 0.00 -1.06 0.00 0.00 42.46 40.09 3kf5 s ILE 429 CO 0.03 0.35 0.19 0.61 -0.10 0.00 0.00 174.94 176.02 3kf5 n GLY 430 N 4.91 3.21 3.01 6.18 0.00 -0.14 0.77 105.19 123.12 3kf5 n GLY 430 Ca -0.13 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.81 3kf5 n GLY 430 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kf5 s PHE 431 N -3.01 -0.36 -0.26 1.61 5.36 -0.77 -1.40 117.98 119.15 3kf5 s PHE 431 Ca 0.27 0.85 -0.11 0.00 -0.96 0.00 0.00 56.93 56.98 3kf5 s PHE 431 Cb 0.01 -0.02 -0.05 0.00 -0.34 0.00 0.00 43.02 42.62 3kf5 s PHE 431 CO 0.19 -0.29 0.19 0.34 -1.46 0.00 0.00 175.22 174.18 3kf5 s ASP 432 N 1.91 6.09 0.38 6.13 -1.08 -0.59 -4.02 116.67 125.49 3kf5 s ASP 432 Ca -0.03 0.08 0.21 0.00 -0.52 0.00 0.00 52.55 52.28 3kf5 s ASP 432 Cb -0.11 -2.12 0.50 0.00 -1.46 0.00 0.00 42.92 39.73 3kf5 s ASP 432 CO -0.08 0.01 1.65 0.77 0.52 0.00 0.00 175.17 178.03 3kf5 h SER 433 N 7.89 0.00 1.07 -0.34 4.64 -1.87 0.30 113.55 125.24 3kf5 h SER 433 Ca -0.37 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.86 3kf5 h SER 433 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3kf5 h SER 433 CO 0.61 0.29 -0.45 0.77 -0.87 0.00 0.00 176.83 177.18 3kf5 h SER 434 N 0.00 0.00 -0.02 4.97 4.64 -1.97 -3.20 113.55 117.97 3kf5 h SER 434 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kf5 h SER 434 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3kf5 h SER 434 CO 0.04 0.45 -0.29 1.67 -0.87 0.00 0.00 176.83 177.83 3kf5 n GLN 435 N -3.42 1.57 -4.17 4.77 -0.06 -1.07 -4.98 117.38 110.02 3kf5 n GLN 435 Ca 0.01 -1.06 -0.32 0.00 -2.00 0.00 0.00 57.00 53.62 3kf5 n GLN 435 Cb 0.61 -1.35 -0.04 0.00 -4.06 0.00 0.00 30.24 25.40 3kf5 n GLN 435 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3kf5 n SER 436 N 0.20 -1.67 -3.93 1.69 2.88 0.07 -4.86 113.62 108.01 3kf5 n SER 436 Ca 0.08 -1.06 -0.14 0.00 -1.33 0.00 0.00 58.87 56.42 3kf5 n SER 436 Cb 0.41 -2.64 -0.14 0.00 -0.75 0.00 0.00 64.21 61.09 3kf5 n SER 436 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3kf5 s SER 437 N -3.79 0.40 0.46 -3.46 0.01 -1.06 -2.03 113.70 104.21 3kf5 s SER 437 Ca 0.41 -0.09 -0.06 0.00 1.31 0.00 0.00 55.95 57.51 3kf5 s SER 437 Cb -0.22 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 3kf5 s SER 437 CO 0.93 0.02 0.77 -0.36 0.41 0.00 0.00 173.24 175.01 3kf5 s PHE 438 N -0.17 3.54 0.03 2.43 0.40 0.11 -1.54 117.98 122.78 3kf5 s PHE 438 Ca 0.00 0.83 -0.21 0.00 -0.60 0.00 0.00 56.93 56.95 3kf5 s PHE 438 Cb -0.02 -2.31 0.05 0.00 0.51 0.00 0.00 43.02 41.25 3kf5 s PHE 438 CO -0.00 -0.22 0.48 1.52 0.70 0.00 0.00 175.22 177.70 3kf5 s TYR 439 N -2.64 -0.38 0.17 0.36 -0.85 -0.50 -3.98 117.35 109.53 3kf5 s TYR 439 Ca 0.48 0.46 0.10 0.00 -0.52 0.00 0.00 57.07 57.58 3kf5 s TYR 439 Cb -0.10 0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.48 3kf5 s TYR 439 CO 0.42 -0.59 -0.22 -1.50 -1.52 0.00 0.00 175.55 172.14 3kf5 s ILE 440 N -2.18 2.07 -0.32 -3.49 2.07 -1.16 -0.97 121.20 117.24 3kf5 s ILE 440 Ca -0.07 -1.92 -0.02 0.00 -1.41 0.00 0.00 60.65 57.23 3kf5 s ILE 440 Cb -0.01 -1.95 0.12 0.00 0.13 0.00 0.00 42.46 40.74 3kf5 s ILE 440 CO 0.00 -0.18 0.16 -0.62 -1.91 0.00 0.00 174.94 172.39 3kf5 s ASP 441 N -2.56 3.37 -0.01 4.50 -1.08 0.17 -2.36 116.67 118.71 3kf5 s ASP 441 Ca 0.17 -1.66 0.12 0.00 -0.52 0.00 0.00 52.55 50.66 3kf5 s ASP 441 Cb -0.07 -0.41 0.37 0.00 -1.46 0.00 0.00 42.92 41.34 3kf5 s ASP 441 CO 0.08 -0.39 1.30 -2.11 0.52 0.00 0.00 175.17 174.57 3kf5 n ARG 442 N 4.76 2.01 -1.83 4.34 1.85 -0.03 -2.32 116.66 125.44 3kf5 n ARG 442 Ca 0.01 -1.49 -0.42 0.00 -1.00 0.00 0.00 57.85 54.95 3kf5 n ARG 442 Cb 0.40 -1.35 -0.03 0.00 -1.05 0.00 0.00 32.46 30.44 3kf5 n ARG 442 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 3kf5 s HIS 443 N -1.47 2.94 -0.06 2.89 2.46 -1.26 -4.72 115.29 116.07 3kf5 s HIS 443 Ca 0.28 0.56 0.01 0.00 0.47 0.00 0.00 55.06 56.37 3kf5 s HIS 443 Cb 0.15 -4.03 0.02 0.00 -0.13 0.00 0.00 32.58 28.58 3kf5 s HIS 443 CO 0.18 -3.78 -0.06 0.42 -2.47 0.00 0.00 174.74 169.04 3kf5 s ILE 444 N 0.88 0.70 0.72 0.89 1.01 -1.26 -4.80 121.20 119.35 3kf5 s ILE 444 Ca 0.70 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 61.02 3kf5 s ILE 444 Cb -0.47 -0.72 0.03 0.00 0.01 0.00 0.00 42.46 41.31 3kf5 s ILE 444 CO 0.35 0.28 1.19 -2.84 0.00 0.00 0.00 174.94 173.92 3kf5 s PRO 445 N 1.11 2.24 0.00 2.79 0.02 -1.26 -3.80 135.00 136.10 3kf5 s PRO 445 Ca -0.07 1.71 0.00 0.00 0.02 0.00 0.00 61.00 62.66 3kf5 s PRO 445 Cb -0.14 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.53 3kf5 s PRO 445 CO -0.01 -1.75 0.00 0.09 -0.33 0.00 0.00 177.00 175.00 3kf5 n ASN 446 N -2.66 -0.06 -4.50 2.53 3.02 -1.26 -4.86 115.26 107.48 3kf5 n ASN 446 Ca 0.13 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 3kf5 n ASN 446 Cb 0.50 -2.06 -0.10 0.00 -0.61 0.00 0.00 39.78 37.52 3kf5 n ASN 446 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kf5 s VAL 447 N -1.54 5.19 0.01 2.41 1.01 -1.25 -5.05 120.40 121.19 3kf5 s VAL 447 Ca 0.00 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.72 3kf5 s VAL 447 Cb 0.00 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 3kf5 s VAL 447 CO 0.00 -0.25 -0.25 -1.61 0.00 0.00 0.00 175.10 172.99 3kf5 s GLU 448 N 1.89 1.98 0.03 2.72 0.41 -1.26 -4.98 118.70 119.50 3kf5 s GLU 448 Ca 0.09 -1.01 -0.20 0.00 -0.41 0.00 0.00 54.97 53.44 3kf5 s GLU 448 Cb -0.18 -2.04 0.04 0.00 -1.78 0.00 0.00 34.13 30.17 3kf5 s GLU 448 CO 0.11 0.54 0.46 -0.59 -0.49 0.00 0.00 175.26 175.29 3kf5 s PHE 449 N -0.74 -0.34 0.17 1.61 -0.71 -1.26 -5.01 117.98 111.70 3kf5 s PHE 449 Ca 0.11 0.37 -0.34 0.00 -1.04 0.00 0.00 56.93 56.04 3kf5 s PHE 449 Cb -0.10 0.26 -0.15 0.00 -1.21 0.00 0.00 43.02 41.82 3kf5 s PHE 449 CO 0.01 -0.58 1.34 -2.30 -1.34 0.00 0.00 175.22 172.35 3kf5 n PRO 450 N 0.56 1.55 -0.99 1.99 -0.02 -1.26 -2.65 135.00 134.17 3kf5 n PRO 450 Ca -0.19 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3kf5 n PRO 450 Cb 0.59 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3kf5 n PRO 450 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kf5 n ARG 451 N 2.31 -0.16 -1.36 -0.52 1.74 -1.26 -4.77 116.66 112.64 3kf5 n ARG 451 Ca 0.15 0.04 -0.36 0.00 -0.77 0.00 0.00 57.85 56.91 3kf5 n ARG 451 Cb 0.26 -3.12 0.07 0.00 -1.02 0.00 0.00 32.46 28.65 3kf5 n ARG 451 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kf5 n LYS 452 N -2.57 0.47 0.00 5.56 5.02 -1.09 -2.59 118.16 122.97 3kf5 n LYS 452 Ca 0.00 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 3kf5 n LYS 452 Cb 0.04 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 3kf5 n LYS 452 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3kf5 n GLN 453 N -1.22 0.00 -0.00 1.97 6.02 -1.26 -4.75 117.38 118.13 3kf5 n GLN 453 Ca 0.12 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.20 3kf5 n GLN 453 Cb 0.49 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.62 3kf5 n GLN 453 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3kf5 n PHE 454 N 0.00 0.00 -2.62 1.08 3.01 -1.07 -4.86 117.46 113.00 3kf5 n PHE 454 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 3kf5 n PHE 454 Cb 0.00 -0.25 -0.03 0.00 -0.01 0.00 0.00 39.48 39.19 3kf5 n PHE 454 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 3kf5 s PHE 455 N -3.12 2.42 0.18 1.38 5.36 -1.26 -4.94 117.98 118.00 3kf5 s PHE 455 Ca -0.01 -0.07 -0.01 0.00 -0.96 0.00 0.00 56.93 55.88 3kf5 s PHE 455 Cb 0.13 -4.53 0.06 0.00 -0.34 0.00 0.00 43.02 38.35 3kf5 s PHE 455 CO 0.81 -1.90 1.44 1.15 -1.46 0.00 0.00 175.22 175.25 3kf5 h THR 456 N 6.04 1.38 0.00 0.12 2.02 -1.95 -3.48 112.91 117.04 3kf5 h THR 456 Ca -0.28 -2.16 0.00 0.00 0.77 0.00 0.00 66.41 64.75 3kf5 h THR 456 Cb 1.06 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 3kf5 h THR 456 CO 1.24 0.65 0.00 0.47 0.37 0.00 0.00 175.52 178.25 3kf5 n ASP 457 N -3.83 0.00 -4.27 4.18 10.43 -1.26 -4.90 116.55 116.90 3kf5 n ASP 457 Ca -0.04 0.00 -0.34 0.00 2.57 0.00 0.00 54.79 56.98 3kf5 n ASP 457 Cb 0.71 0.00 -0.15 0.00 1.84 0.00 0.00 41.12 43.52 3kf5 n ASP 457 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 3kf5 s LYS 458 N 0.00 3.25 -0.04 -1.24 1.02 -1.26 -0.85 119.74 120.62 3kf5 s LYS 458 Ca 0.00 -0.71 0.01 0.00 0.02 0.00 0.00 55.97 55.29 3kf5 s LYS 458 Cb 0.00 -2.76 0.02 0.00 -0.52 0.00 0.00 37.83 34.58 3kf5 s LYS 458 CO 0.00 -0.08 -0.03 -0.51 -0.92 0.00 0.00 175.35 173.81 3kf5 s LEU 459 N 1.09 1.29 0.00 3.17 1.43 -0.99 -4.98 118.68 119.68 3kf5 s LEU 459 Ca 0.00 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 3kf5 s LEU 459 Cb -0.14 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 45.68 3kf5 s LEU 459 CO -0.03 -0.07 0.00 0.00 0.23 0.00 0.00 176.35 176.48 3kf5 n ALA 460 N 4.07 -0.08 -1.31 4.21 0.00 -1.26 -2.97 120.51 123.17 3kf5 n ALA 460 Ca -0.25 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3kf5 n ALA 460 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3kf5 n ALA 460 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kf5 n ALA 461 N -0.04 -2.09 -2.47 0.00 0.00 -1.26 -4.16 120.51 110.49 3kf5 n ALA 461 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 3kf5 n ALA 461 Cb 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 3kf5 n ALA 461 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3kf5 s TYR 462 N -1.69 3.71 0.00 0.00 5.04 -1.26 0.05 117.35 123.20 3kf5 s TYR 462 Ca 0.00 1.01 0.00 0.00 -2.44 0.00 0.00 57.07 55.64 3kf5 s TYR 462 Cb 0.00 -2.31 0.00 0.00 0.35 0.00 0.00 41.96 40.00 3kf5 s TYR 462 CO 0.00 0.60 0.00 1.28 -1.34 0.00 0.00 175.55 176.09 3kf5 n LEU 463 N 1.59 0.16 0.00 6.97 4.32 -0.86 -4.98 117.00 124.20 3kf5 n LEU 463 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.87 3kf5 n LEU 463 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 3kf5 n LEU 463 CO 0.39 -0.14 0.00 -0.62 -1.22 0.00 0.00 177.39 175.80 3kf5 n GLU 464 N -2.76 0.00 -1.68 3.23 -0.58 -1.26 -4.83 120.64 112.75 3kf5 n GLU 464 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 3kf5 n GLU 464 Cb 0.32 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.21 3kf5 n GLU 464 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3kf5 n PRO 465 N -0.32 1.74 0.21 3.49 -0.02 -1.26 -4.88 135.00 133.96 3kf5 n PRO 465 Ca 0.00 0.62 0.05 0.00 -2.02 0.00 0.00 63.50 62.15 3kf5 n PRO 465 Cb 0.00 -2.33 0.45 0.00 -0.02 0.00 0.00 33.50 31.60 3kf5 n PRO 465 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3kf5 h LEU 466 N 1.82 0.00 -7.14 2.45 5.85 -0.41 -3.47 115.31 114.41 3kf5 h LEU 466 Ca -0.48 0.00 0.18 0.00 0.84 0.00 0.00 57.88 58.43 3kf5 h LEU 466 Cb 1.31 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.19 3kf5 h LEU 466 CO 0.58 0.30 0.61 -0.62 -0.34 0.00 0.00 178.44 178.98 3kf5 s ASP 467 N -6.72 -0.24 -0.12 1.25 2.15 -1.06 -5.02 116.67 106.91 3kf5 s ASP 467 Ca -0.03 -0.08 0.01 0.00 0.43 0.00 0.00 52.55 52.88 3kf5 s ASP 467 Cb 0.14 0.32 -0.01 0.00 -0.30 0.00 0.00 42.92 43.06 3kf5 s ASP 467 CO 0.69 -0.53 -0.16 -0.31 -0.17 0.00 0.00 175.17 174.68 3kf5 s TYR 468 N -2.89 2.74 -0.48 -5.34 1.51 -1.26 -0.09 117.35 111.53 3kf5 s TYR 468 Ca 0.08 -0.73 0.03 0.00 -1.01 0.00 0.00 57.07 55.45 3kf5 s TYR 468 Cb -0.00 -1.80 0.13 0.00 -0.11 0.00 0.00 41.96 40.18 3kf5 s TYR 468 CO -0.05 -0.25 0.24 -0.51 -1.11 0.00 0.00 175.55 173.87 3kf5 s ASP 469 N 0.29 4.05 0.00 2.29 1.01 -1.26 -4.76 116.67 118.29 3kf5 s ASP 469 Ca -0.12 -2.81 0.00 0.00 0.71 0.00 0.00 52.55 50.33 3kf5 s ASP 469 Cb -0.16 -1.38 0.00 0.00 1.01 0.00 0.00 42.92 42.39 3kf5 s ASP 469 CO 0.06 -0.25 0.00 1.67 0.21 0.00 0.00 175.17 176.86 3kf5 n GLN 470 N 3.35 0.00 -3.76 8.23 -0.06 -1.26 -4.38 117.38 119.50 3kf5 n GLN 470 Ca 0.06 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.75 3kf5 n GLN 470 Cb 0.33 -1.96 0.03 0.00 -4.06 0.00 0.00 30.24 24.59 3kf5 n GLN 470 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3kf5 n ASP 471 N -0.94 -4.29 0.00 1.69 8.00 -1.26 -4.91 116.55 114.83 3kf5 n ASP 471 Ca 0.00 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.46 3kf5 n ASP 471 Cb 0.43 -3.19 0.00 0.00 -0.02 0.00 0.00 41.12 38.34 3kf5 n ASP 471 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3kf5 n LEU 472 N -4.30 0.17 -0.82 0.64 7.94 -1.26 -5.05 117.00 114.33 3kf5 n LEU 472 Ca -0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 3kf5 n LEU 472 Cb 0.61 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.56 3kf5 n LEU 472 CO 0.69 0.03 0.00 0.54 -1.11 0.00 0.00 177.39 177.54 3kf5 n ARG 473 N -1.15 0.00 -5.04 1.96 1.74 -1.26 -3.94 116.66 108.97 3kf5 n ARG 473 Ca 0.00 0.38 -0.32 0.00 -0.77 0.00 0.00 57.85 57.14 3kf5 n ARG 473 Cb 0.17 -0.43 -0.16 0.00 -1.02 0.00 0.00 32.46 31.02 3kf5 n ARG 473 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kf5 s VAL 474 N 0.00 2.51 0.21 1.55 1.01 0.87 -1.59 120.40 124.95 3kf5 s VAL 474 Ca 0.00 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.19 3kf5 s VAL 474 Cb 0.00 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 3kf5 s VAL 474 CO 0.00 0.55 -0.17 -0.36 0.00 0.00 0.00 175.10 175.13 3kf5 s PHE 475 N 0.14 1.86 0.08 5.22 0.40 -0.35 0.41 117.98 125.73 3kf5 s PHE 475 Ca -0.10 -0.50 0.05 0.00 -0.60 0.00 0.00 56.93 55.78 3kf5 s PHE 475 Cb -0.16 -0.87 -0.03 0.00 0.51 0.00 0.00 43.02 42.48 3kf5 s PHE 475 CO 0.06 0.42 -0.12 -1.54 0.70 0.00 0.00 175.22 174.74 3kf5 s SER 476 N -3.18 1.54 -0.03 1.36 1.04 -1.26 -1.06 113.70 112.11 3kf5 s SER 476 Ca 0.22 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 56.00 3kf5 s SER 476 Cb -0.03 -0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.08 3kf5 s SER 476 CO 0.08 -0.13 -0.02 -0.22 0.98 0.00 0.00 173.24 173.93 3kf5 s LEU 477 N -1.90 1.34 -0.09 2.42 0.20 0.94 0.11 118.68 121.71 3kf5 s LEU 477 Ca -0.01 -0.07 0.02 0.00 0.69 0.00 0.00 54.13 54.76 3kf5 s LEU 477 Cb -0.08 -0.29 0.02 0.00 -0.43 0.00 0.00 46.19 45.40 3kf5 s LEU 477 CO 0.02 -0.06 -0.13 -0.47 -0.29 0.00 0.00 176.35 175.41 3kf5 s TYR 478 N 0.82 1.67 0.04 5.38 5.04 -0.59 -0.14 117.35 129.58 3kf5 s TYR 478 Ca -0.09 -0.71 0.04 0.00 -2.44 0.00 0.00 57.07 53.87 3kf5 s TYR 478 Cb -0.12 -1.23 -0.02 0.00 0.35 0.00 0.00 41.96 40.93 3kf5 s TYR 478 CO -0.01 -0.38 -0.12 0.20 -1.34 0.00 0.00 175.55 173.89 3kf5 s GLY 479 N 0.92 0.72 -0.05 8.97 0.00 -0.15 0.29 107.32 118.01 3kf5 s GLY 479 Ca -0.09 -0.82 -0.00 0.00 0.00 0.00 0.00 44.72 43.81 3kf5 s GLY 479 CO 0.00 -0.82 -0.02 -1.50 0.00 0.00 0.00 173.10 170.77 3kf5 s ILE 480 N -0.99 0.42 -0.23 0.90 2.07 -0.46 -1.10 121.20 121.81 3kf5 s ILE 480 Ca -0.01 0.01 -0.07 0.00 -1.41 0.00 0.00 60.65 59.17 3kf5 s ILE 480 Cb -0.08 -0.51 -0.03 0.00 0.13 0.00 0.00 42.46 41.96 3kf5 s ILE 480 CO 0.01 0.23 0.06 -0.69 -1.91 0.00 0.00 174.94 172.65 3kf5 s VAL 481 N 1.40 4.38 0.00 4.00 1.01 0.03 -1.45 120.40 129.78 3kf5 s VAL 481 Ca -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3kf5 s VAL 481 Cb -0.13 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.22 3kf5 s VAL 481 CO -0.03 0.37 0.00 -0.67 0.00 0.00 0.00 175.10 174.77 3kf5 n ASP 482 N 4.57 0.00 0.00 3.32 -0.08 -0.05 -1.23 116.55 123.09 3kf5 n ASP 482 Ca -0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.12 3kf5 n ASP 482 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 3kf5 n ASP 482 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3kf5 n LYS 483 N 0.00 2.59 0.00 -0.67 5.02 -1.26 -3.39 118.16 120.45 3kf5 n LYS 483 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kf5 n LYS 483 Cb 0.00 -0.72 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 3kf5 n LYS 483 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3kf5 n ASN 484 N -0.91 0.53 -3.81 4.39 2.04 -1.23 -4.71 115.26 111.56 3kf5 n ASN 484 Ca 0.00 -1.21 -0.17 0.00 -0.44 0.00 0.00 54.58 52.76 3kf5 n ASN 484 Cb 0.11 0.00 -0.16 0.00 -2.53 0.00 0.00 39.78 37.19 3kf5 n ASN 484 CO 0.00 0.00 0.00 -0.51 -0.44 0.00 0.00 177.26 176.31 3kf5 s ILE 485 N -0.21 0.17 -0.13 1.53 2.07 -1.26 -0.15 121.20 123.22 3kf5 s ILE 485 Ca 0.00 0.10 0.02 0.00 -1.41 0.00 0.00 60.65 59.36 3kf5 s ILE 485 Cb 0.00 -0.27 0.00 0.00 0.13 0.00 0.00 42.46 42.32 3kf5 s ILE 485 CO 0.00 0.15 -0.20 -0.51 -1.91 0.00 0.00 174.94 172.47 3kf5 s ILE 486 N 1.07 2.33 -0.19 2.00 2.07 0.37 -0.87 121.20 127.99 3kf5 s ILE 486 Ca -0.09 -0.90 -0.02 0.00 -1.41 0.00 0.00 60.65 58.23 3kf5 s ILE 486 Cb -0.13 -1.94 -0.00 0.00 0.13 0.00 0.00 42.46 40.51 3kf5 s ILE 486 CO -0.02 0.54 -0.10 -1.61 -1.91 0.00 0.00 174.94 171.84 3kf5 s GLU 487 N 0.67 3.29 -0.09 3.50 2.02 -0.52 -1.52 118.70 126.04 3kf5 s GLU 487 Ca -0.09 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.22 3kf5 s GLU 487 Cb -0.16 -2.81 -0.02 0.00 0.10 0.00 0.00 34.13 31.24 3kf5 s GLU 487 CO 0.02 -0.09 -0.13 -0.51 0.02 0.00 0.00 175.26 174.57 3kf5 s LEU 488 N 1.12 2.73 -0.26 1.80 1.43 -0.69 -1.35 118.68 123.47 3kf5 s LEU 488 Ca 0.01 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3kf5 s LEU 488 Cb -0.14 -1.59 0.07 0.00 0.03 0.00 0.00 46.19 44.56 3kf5 s LEU 488 CO -0.03 0.25 -0.00 -0.31 0.23 0.00 0.00 176.35 176.49 3kf5 s TYR 489 N -0.17 2.42 0.11 0.29 1.51 0.14 -0.90 117.35 120.76 3kf5 s TYR 489 Ca -0.00 -1.91 -0.12 0.00 -1.01 0.00 0.00 57.07 54.02 3kf5 s TYR 489 Cb -0.13 -1.80 -0.06 0.00 -0.11 0.00 0.00 41.96 39.86 3kf5 s TYR 489 CO 0.03 -0.81 0.48 -0.06 -1.11 0.00 0.00 175.55 174.08 3kf5 s PHE 490 N 1.38 3.60 0.00 2.71 0.40 -0.51 -1.54 117.98 124.01 3kf5 s PHE 490 Ca 0.00 0.94 0.00 0.00 -0.60 0.00 0.00 56.93 57.27 3kf5 s PHE 490 Cb -0.18 -2.28 0.00 0.00 0.51 0.00 0.00 43.02 41.07 3kf5 s PHE 490 CO -0.10 0.47 0.00 0.09 0.70 0.00 0.00 175.22 176.38 3kf5 n ASN 491 N 0.88 0.00 -3.04 1.36 3.02 0.12 -1.25 115.26 116.35 3kf5 n ASN 491 Ca -0.07 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.11 3kf5 n ASN 491 Cb 0.52 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.70 3kf5 n ASN 491 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3kf5 n ASP 492 N -0.97 7.32 0.00 6.41 8.00 -1.26 -4.54 116.55 131.51 3kf5 n ASP 492 Ca 0.00 -3.59 0.00 0.00 0.71 0.00 0.00 54.79 51.91 3kf5 n ASP 492 Cb 0.00 -1.16 0.00 0.00 -0.02 0.00 0.00 41.12 39.94 3kf5 n ASP 492 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kf5 n GLY 493 N 0.13 0.73 0.36 0.44 0.00 -1.02 -4.78 105.19 101.05 3kf5 n GLY 493 Ca 0.52 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 3kf5 n GLY 493 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kf5 h THR 494 N 0.00 1.26 -3.59 2.61 2.02 -1.43 -1.81 112.91 111.96 3kf5 h THR 494 Ca 0.00 -0.66 -0.22 0.00 0.77 0.00 0.00 66.41 66.30 3kf5 h THR 494 Cb 0.27 0.08 -0.28 0.00 -1.74 0.00 0.00 68.15 66.48 3kf5 h THR 494 CO 0.00 0.30 -0.66 0.54 0.37 0.00 0.00 175.52 176.07 3kf5 s VAL 495 N -5.79 -0.00 0.03 3.16 0.11 -1.21 -4.77 120.40 111.92 3kf5 s VAL 495 Ca -0.13 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 58.97 3kf5 s VAL 495 Cb 0.17 -0.09 -0.04 0.00 -1.53 0.00 0.00 36.38 34.89 3kf5 s VAL 495 CO 0.83 0.00 -0.05 0.00 -3.33 0.00 0.00 175.10 172.55 3kf5 s ALA 496 N 0.08 3.09 -0.28 1.54 0.00 -1.26 -1.43 121.76 123.50 3kf5 s ALA 496 Ca -0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 50.86 3kf5 s ALA 496 Cb -0.01 -1.14 0.10 0.00 0.00 0.00 0.00 23.12 22.07 3kf5 s ALA 496 CO -0.00 0.64 0.12 1.41 0.00 0.00 0.00 175.76 177.92 3kf5 s MET 497 N -1.68 0.25 -0.23 0.00 0.00 -0.07 -1.33 119.30 116.24 3kf5 s MET 497 Ca 0.19 -0.56 -0.10 0.00 0.00 0.00 0.00 55.69 55.22 3kf5 s MET 497 Cb -0.11 -1.34 -0.05 0.00 0.00 0.00 0.00 34.83 33.33 3kf5 s MET 497 CO 0.10 -0.98 0.14 0.99 0.00 0.00 0.00 175.02 175.28 3kf5 s THR 498 N 2.04 5.30 -0.07 10.11 2.01 -1.26 -1.70 115.64 132.06 3kf5 s THR 498 Ca 0.08 0.16 -0.04 0.00 0.31 0.00 0.00 61.69 62.20 3kf5 s THR 498 Cb -0.16 -3.46 0.03 0.00 0.01 0.00 0.00 72.50 68.93 3kf5 s THR 498 CO -0.33 0.37 0.18 0.20 -0.69 0.00 0.00 174.62 174.35 3kf5 s ASN 499 N 0.90 -0.16 0.38 3.53 0.01 -0.58 -1.90 114.94 117.11 3kf5 s ASN 499 Ca 0.07 0.36 -0.19 0.00 -0.71 0.00 0.00 52.86 52.39 3kf5 s ASN 499 Cb -0.13 0.28 -0.10 0.00 0.41 0.00 0.00 41.25 41.71 3kf5 s ASN 499 CO 0.03 -0.13 0.87 0.42 -1.51 0.00 0.00 177.10 176.78 3kf5 s THR 500 N 0.88 4.48 0.06 1.60 -4.23 -1.26 -0.48 115.64 116.69 3kf5 s THR 500 Ca -0.07 1.32 0.01 0.00 -1.18 0.00 0.00 61.69 61.78 3kf5 s THR 500 Cb -0.08 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 70.08 3kf5 s THR 500 CO -0.05 -0.21 -0.06 0.72 -0.54 0.00 0.00 174.62 174.48 3kf5 s PHE 501 N -2.04 0.66 -0.08 3.99 -0.12 0.79 -4.92 117.98 116.26 3kf5 s PHE 501 Ca 0.58 -0.72 -0.10 0.00 -0.05 0.00 0.00 56.93 56.63 3kf5 s PHE 501 Cb -0.10 -0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 41.84 3kf5 s PHE 501 CO 0.16 -0.16 -0.20 1.19 -0.05 0.00 0.00 175.22 176.15 3kf5 n PHE 502 N 0.80 0.00 -0.75 3.49 3.72 -1.26 -4.54 117.46 118.92 3kf5 n PHE 502 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 3kf5 n PHE 502 Cb 0.58 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 3kf5 n PHE 502 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3kf5 n MET 503 N -3.99 -2.13 -1.84 -1.08 2.81 -1.26 -4.96 117.12 104.66 3kf5 n MET 503 Ca -0.12 1.57 -0.37 0.00 -1.81 0.00 0.00 57.70 56.97 3kf5 n MET 503 Cb 0.38 -1.76 0.05 0.00 -0.71 0.00 0.00 33.22 31.17 3kf5 n MET 503 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3kf5 s GLY 504 N -2.35 2.84 -0.25 3.03 0.00 -1.26 -4.77 107.32 104.55 3kf5 s GLY 504 Ca 0.00 1.19 -0.23 0.00 0.00 0.00 0.00 44.72 45.68 3kf5 s GLY 504 CO 0.00 1.64 0.98 -2.21 0.00 0.00 0.00 173.10 173.51 3kf5 n GLU 505 N -1.49 0.00 0.00 2.90 2.13 -1.26 -0.45 120.64 122.47 3kf5 n GLU 505 Ca 0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.95 3kf5 n GLU 505 Cb 0.47 -0.76 0.00 0.00 0.27 0.00 0.00 31.44 31.42 3kf5 n GLU 505 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kf5 n GLY 506 N 3.13 2.92 3.79 8.31 0.00 -1.26 -5.05 105.19 117.03 3kf5 n GLY 506 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 3kf5 n GLY 506 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kf5 s LYS 507 N -0.81 4.26 0.07 1.61 1.02 0.40 -4.82 119.74 121.47 3kf5 s LYS 507 Ca 0.00 0.77 -0.06 0.00 0.02 0.00 0.00 55.97 56.70 3kf5 s LYS 507 Cb 0.00 -3.27 -0.02 0.00 -0.52 0.00 0.00 37.83 34.02 3kf5 s LYS 507 CO 0.00 0.55 0.11 1.52 -0.92 0.00 0.00 175.35 176.60 3kf5 s TYR 508 N -0.82 0.28 -0.01 3.18 -0.85 -1.26 -4.71 117.35 113.16 3kf5 s TYR 508 Ca 0.30 -0.73 -0.37 0.00 -0.52 0.00 0.00 57.07 55.76 3kf5 s TYR 508 Cb -0.19 -0.18 -0.15 0.00 0.38 0.00 0.00 41.96 41.81 3kf5 s TYR 508 CO 0.19 -0.47 1.53 -2.30 -1.52 0.00 0.00 175.55 172.99 3kf5 n PRO 509 N 0.11 1.43 -0.02 -3.49 -0.02 -1.26 -3.33 135.00 128.41 3kf5 n PRO 509 Ca -0.15 0.52 -0.02 0.00 -2.02 0.00 0.00 63.50 61.83 3kf5 n PRO 509 Cb 0.61 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 3kf5 n PRO 509 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3kf5 n HIS 510 N 3.78 0.00 -3.60 6.00 8.25 0.64 -4.54 115.22 125.75 3kf5 n HIS 510 Ca 0.20 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.56 3kf5 n HIS 510 Cb 0.20 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 3kf5 n HIS 510 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 3kf5 s ASP 511 N -3.69 -0.39 -0.05 0.41 -4.77 -1.07 -4.82 116.67 102.29 3kf5 s ASP 511 Ca -0.03 -0.26 0.03 0.00 -3.30 0.00 0.00 52.55 48.99 3kf5 s ASP 511 Cb 0.01 0.58 0.01 0.00 -1.09 0.00 0.00 42.92 42.43 3kf5 s ASP 511 CO 0.11 -1.01 -0.13 -0.63 0.70 0.00 0.00 175.17 174.21 3kf5 s ILE 512 N -3.81 1.16 0.14 2.11 1.01 -1.26 -1.51 121.20 119.04 3kf5 s ILE 512 Ca 0.05 -0.52 0.09 0.00 0.00 0.00 0.00 60.65 60.27 3kf5 s ILE 512 Cb -0.01 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 3kf5 s ILE 512 CO -0.08 0.35 -0.18 -1.10 0.00 0.00 0.00 174.94 173.93 3kf5 s GLN 513 N 0.43 1.76 -0.19 2.79 -0.21 -0.53 -1.43 119.66 122.28 3kf5 s GLN 513 Ca -0.10 -1.25 0.01 0.00 0.02 0.00 0.00 55.36 54.04 3kf5 s GLN 513 Cb -0.14 -2.07 0.04 0.00 1.00 0.00 0.00 33.01 31.84 3kf5 s GLN 513 CO 0.03 0.46 -0.13 0.42 -2.12 0.00 0.00 175.29 173.95 3kf5 s ILE 514 N -1.28 1.80 0.27 1.08 1.01 0.78 -0.45 121.20 124.40 3kf5 s ILE 514 Ca 0.19 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.89 3kf5 s ILE 514 Cb -0.10 -1.78 -0.06 0.00 0.01 0.00 0.00 42.46 40.53 3kf5 s ILE 514 CO 0.11 0.29 -0.03 0.68 0.00 0.00 0.00 174.94 175.98 3kf5 s VAL 515 N 1.35 1.41 0.05 2.92 -7.23 -0.16 -1.36 120.40 117.37 3kf5 s VAL 515 Ca 0.00 -2.08 -0.18 0.00 -1.81 0.00 0.00 61.98 57.91 3kf5 s VAL 515 Cb -0.15 -2.44 0.04 0.00 0.56 0.00 0.00 36.38 34.38 3kf5 s VAL 515 CO -0.09 -0.29 0.41 -0.89 -0.31 0.00 0.00 175.10 173.93 3kf5 s THR 516 N -3.17 0.06 -1.66 5.32 2.01 -1.26 -1.82 115.64 115.12 3kf5 s THR 516 Ca 0.29 -0.47 0.23 0.00 0.31 0.00 0.00 61.69 62.05 3kf5 s THR 516 Cb 0.05 -0.98 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 3kf5 s THR 516 CO 0.11 -0.26 1.15 0.47 -0.69 0.00 0.00 174.62 175.40 3kf5 n ASP 517 N 0.42 1.49 -4.74 3.53 8.00 -1.26 -3.54 116.55 120.45 3kf5 n ASP 517 Ca -0.18 -1.19 -0.41 0.00 0.71 0.00 0.00 54.79 53.72 3kf5 n ASP 517 Cb 0.60 0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 42.20 3kf5 n ASP 517 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3kf5 s THR 518 N -2.65 3.44 -0.03 -3.53 -4.23 -1.26 -4.77 115.64 102.61 3kf5 s THR 518 Ca 0.16 1.25 -0.24 0.00 -1.18 0.00 0.00 61.69 61.68 3kf5 s THR 518 Cb 0.18 -3.79 -0.18 0.00 1.34 0.00 0.00 72.50 70.05 3kf5 s THR 518 CO 0.65 0.22 1.07 -0.33 -0.54 0.00 0.00 174.62 175.68 3kf5 h GLU 519 N 4.97 -0.17 -6.62 3.99 4.39 -1.95 -2.13 114.58 117.07 3kf5 h GLU 519 Ca -0.45 0.01 -0.47 0.00 0.34 0.00 0.00 59.36 58.79 3kf5 h GLU 519 Cb 1.21 0.04 0.02 0.00 -0.10 0.00 0.00 28.75 29.92 3kf5 h GLU 519 CO 0.73 0.27 -0.13 -1.21 -1.16 0.00 0.00 179.01 177.52 3kf5 s GLU 520 N -3.89 3.34 -0.21 2.33 0.41 -1.26 -4.56 118.70 114.86 3kf5 s GLU 520 Ca -0.14 -0.34 -0.29 0.00 -0.41 0.00 0.00 54.97 53.78 3kf5 s GLU 520 Cb 0.01 -2.60 -0.01 0.00 -1.78 0.00 0.00 34.13 29.75 3kf5 s GLU 520 CO 0.56 -0.03 1.31 -2.14 -0.49 0.00 0.00 175.26 174.47 3kf5 s PRO 521 N -4.44 4.10 -0.20 0.39 0.02 -1.26 -4.86 135.00 128.75 3kf5 s PRO 521 Ca 0.44 1.55 0.06 0.00 0.02 0.00 0.00 61.00 63.06 3kf5 s PRO 521 Cb -0.10 -3.83 -0.21 0.00 0.02 0.00 0.00 34.50 30.38 3kf5 s PRO 521 CO 0.37 -0.88 0.03 -0.11 -0.33 0.00 0.00 177.00 176.08 3kf5 n LEU 522 N 7.07 1.94 -4.53 -5.54 7.94 -1.26 -4.84 117.00 117.78 3kf5 n LEU 522 Ca 0.15 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.71 3kf5 n LEU 522 Cb 0.45 -0.47 -0.12 0.00 0.53 0.00 0.00 43.42 43.82 3kf5 n LEU 522 CO 0.59 0.76 -0.33 -0.36 -1.11 0.00 0.00 177.39 176.94 3kf5 s PHE 523 N -2.53 3.07 -0.30 1.96 0.40 -1.26 -0.35 117.98 118.97 3kf5 s PHE 523 Ca -0.24 -0.22 -0.06 0.00 -0.60 0.00 0.00 56.93 55.82 3kf5 s PHE 523 Cb 0.08 -1.98 0.02 0.00 0.51 0.00 0.00 43.02 41.65 3kf5 s PHE 523 CO 0.71 0.01 0.07 -2.00 0.70 0.00 0.00 175.22 174.71 3kf5 s GLU 524 N 0.35 2.89 -0.73 0.44 2.12 -0.54 -1.68 118.70 121.55 3kf5 s GLU 524 Ca -0.03 -0.99 -0.25 0.00 0.36 0.00 0.00 54.97 54.06 3kf5 s GLU 524 Cb -0.14 -3.35 0.05 0.00 0.26 0.00 0.00 34.13 30.94 3kf5 s GLU 524 CO 0.02 -0.52 1.18 -0.51 -0.54 0.00 0.00 175.26 174.90 3kf5 s LEU 525 N 1.44 3.60 0.20 2.70 1.43 -0.01 -0.44 118.68 127.60 3kf5 s LEU 525 Ca 0.01 -0.69 -0.10 0.00 -1.03 0.00 0.00 54.13 52.31 3kf5 s LEU 525 Cb -0.18 -2.51 0.18 0.00 0.03 0.00 0.00 46.19 43.71 3kf5 s LEU 525 CO 0.02 -1.69 1.84 -0.33 0.23 0.00 0.00 176.35 176.42 3kf5 h GLU 526 N 9.85 0.77 -3.73 1.70 5.08 -1.08 -0.80 114.58 126.37 3kf5 h GLU 526 Ca -0.26 -0.05 -0.29 0.00 -1.00 0.00 0.00 59.36 57.76 3kf5 h GLU 526 Cb 1.05 -0.17 -0.31 0.00 0.50 0.00 0.00 28.75 29.82 3kf5 h GLU 526 CO 1.25 0.51 -0.73 0.45 -1.00 0.00 0.00 179.01 179.49 3kf5 s SER 527 N -5.70 0.21 -0.08 1.42 0.15 -1.08 -0.54 113.70 108.08 3kf5 s SER 527 Ca -0.13 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.52 3kf5 s SER 527 Cb 0.15 -0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.39 3kf5 s SER 527 CO 0.76 -0.06 -0.06 -0.69 1.20 0.00 0.00 173.24 174.39 3kf5 s VAL 528 N 0.59 0.83 -0.18 4.45 1.01 -0.85 -2.02 120.40 124.24 3kf5 s VAL 528 Ca -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 3kf5 s VAL 528 Cb -0.08 -0.86 0.05 0.00 0.00 0.00 0.00 36.38 35.49 3kf5 s VAL 528 CO -0.01 0.32 -0.03 -0.63 0.00 0.00 0.00 175.10 174.74 3kf5 s ILE 529 N 1.42 1.04 -0.13 2.22 1.01 -0.56 -1.69 121.20 124.51 3kf5 s ILE 529 Ca -0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 3kf5 s ILE 529 Cb -0.13 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 3kf5 s ILE 529 CO -0.04 0.04 -0.11 -0.63 0.00 0.00 0.00 174.94 174.19 3kf5 s ILE 530 N 1.65 3.21 -0.03 2.92 1.01 -0.33 -0.85 121.20 128.78 3kf5 s ILE 530 Ca -0.00 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.07 3kf5 s ILE 530 Cb -0.16 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 39.95 3kf5 s ILE 530 CO -0.07 0.52 -0.11 -0.13 0.00 0.00 0.00 174.94 175.15 3kf5 s ARG 531 N 0.32 1.10 -0.32 2.79 0.52 0.32 -0.39 118.95 123.29 3kf5 s ARG 531 Ca -0.09 -0.37 -0.19 0.00 -0.52 0.00 0.00 55.73 54.56 3kf5 s ARG 531 Cb -0.15 -1.01 -0.01 0.00 0.52 0.00 0.00 34.95 34.30 3kf5 s ARG 531 CO 0.05 0.15 0.58 -2.00 0.02 0.00 0.00 175.30 174.10 3kf5 s GLU 532 N 0.11 3.81 0.33 3.54 2.12 -0.49 -1.21 118.70 126.92 3kf5 s GLU 532 Ca -0.02 0.13 0.07 0.00 0.36 0.00 0.00 54.97 55.51 3kf5 s GLU 532 Cb -0.09 -3.75 -0.02 0.00 0.26 0.00 0.00 34.13 30.53 3kf5 s GLU 532 CO 0.01 -0.59 0.34 -0.51 -0.54 0.00 0.00 175.26 173.97 3kf5 s LEU 533 N 2.52 3.72 0.10 2.70 1.02 -0.78 0.15 118.68 128.12 3kf5 s LEU 533 Ca 0.23 -0.39 -0.11 0.00 0.02 0.00 0.00 54.13 53.87 3kf5 s LEU 533 Cb -0.15 -2.37 0.01 0.00 0.02 0.00 0.00 46.19 43.70 3kf5 s LEU 533 CO 0.12 -0.36 0.26 0.21 0.02 0.00 0.00 176.35 176.61 3kf5 s ASN 534 N -4.04 0.01 0.00 2.29 2.47 -0.24 -4.47 114.94 110.95 3kf5 s ASN 534 Ca 0.42 -0.56 0.00 0.00 0.42 0.00 0.00 52.86 53.14 3kf5 s ASN 534 Cb -0.07 0.39 0.00 0.00 -1.45 0.00 0.00 41.25 40.12 3kf5 s ASN 534 CO 0.28 -0.78 0.00 0.29 -3.72 0.00 0.00 177.10 173.17